1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane

C53H72ClN15O5S3 — CID 163934780

IUPAC1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane
SMILESC.CC(C)(O)CN.CC(C)(O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(C)(O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C19H25N5O2S.C15H15ClN4OS.C14H17N5OS.C4H11NO.CH4/c1-19(2,25)11-21-12-10-16(20)23-13-9-15(27-18(12)13)14-6-7-22-24(14)17-5-3-4-8-26-17;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-14(2,20)7-16-9-6-12(15)18-10-5-11(21-13(9)10)8-3-4-17-19-8;1-4(2,6)3-5;/h6-7,9-10,17,25H,3-5,8,11H2,1-2H3,(H3,20,21,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);3-6,20H,7H2,1-2H3,(H,17,19)(H3,15,16,18);6H,3,5H2,1-2H3;1H4
InChIKeyRLTLXVXIHZYSDX-UHFFFAOYSA-N
MW1130.91 g/mol
LogP10.52
Rot. Bonds12

About 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane

1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane (PubChem CID 163934780) has the molecular formula C53H72ClN15O5S3 and a molecular weight of 1130.91 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane
PubChem CID163934780
Molecular FormulaC53H72ClN15O5S3
Molecular Weight1130.91 g/mol
Exact Mass1129.47
IUPAC Name1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane
SMILESC.CC(C)(O)CN.CC(C)(O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(C)(O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C19H25N5O2S.C15H15ClN4OS.C14H17N5OS.C4H11NO.CH4/c1-19(2,25)11-21-12-10-16(20)23-13-9-15(27-18(12)13)14-6-7-22-24(14)17-5-3-4-8-26-17;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-14(2,20)7-16-9-6-12(15)18-10-5-11(21-13(9)10)8-3-4-17-19-8;1-4(2,6)3-5;/h6-7,9-10,17,25H,3-5,8,11H2,1-2H3,(H3,20,21,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);3-6,20H,7H2,1-2H3,(H,17,19)(H3,15,16,18);6H,3,5H2,1-2H3;1H4
InChIKeyRLTLXVXIHZYSDX-UHFFFAOYSA-N
XLogP10.52
TPSA310.28 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001130.91
LogP ≤ 510.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane with MolForge

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Related Compounds

(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;1-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-4-methylpiperidin-4-ol;cis-(1S,2R)-2-[[5-amino-2-(2H-pyrrol-3-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 164113930
1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
CID 163414843
(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163415549
7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163434684
4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol;bis(3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol);bis(7-N-pentan-3-yl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine)
CID 163437402
7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(2-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163437855
(2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol
CID 163491458
2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine
CID 163498444
7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 163525682
(2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 163529422
7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163531021
3-aminocyclobutan-1-ol;3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid
CID 163533818

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane?
The IUPAC name of 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane (CID 163934780) is 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane is C.CC(C)(O)CN.CC(C)(O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(C)(O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane?
The InChIKey is RLTLXVXIHZYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S.C15H15ClN4OS.C14H17N5OS.C4H11NO.CH4/c1-19(2,25)11-21-12-10-16(20)23-13-9-15(27-18(12)13)14-6-7-22-24(14)17-5-3-4-8-26-17;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-14(2,20)7-16-9-6-12(15)18-10-5-11(21-13(9)10)8-3-4-17-19-8;1-4(2,6)3-5;/h6-7,9-10,17,25H,3-5,8,11H2,1-2H3,(H3,20,21,23);4-5,7-8,14H,1-3,6H2,(H2,17,19);3-6,20H,7H2,1-2H3,(H,17,19)(H3,15,16,18);6H,3,5H2,1-2H3;1H4.
What are the key properties of 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane?
1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane has a molecular weight of 1130.91 g/mol, XLogP of 10.52, 12 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;methane is sourced from PubChem (CID 163934780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).