[3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone

C19H18N6O2S — CID 172583305

IUPAC[3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc2cc(-c3ccc4sc(C(=O)N5CCOCC5)c(N)c4n3)cnc2n1
InChIInChI=1S/C19H18N6O2S/c1-24-10-12-8-11(9-21-18(12)23-24)13-2-3-14-16(22-13)15(20)17(28-14)19(26)25-4-6-27-7-5-25/h2-3,8-10H,4-7,20H2,1H3
InChIKeyIDQHSQRCBZXHDP-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.30
Rot. Bonds2

About [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone

[3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 172583305) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID172583305
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name[3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc2cc(-c3ccc4sc(C(=O)N5CCOCC5)c(N)c4n3)cnc2n1
InChIInChI=1S/C19H18N6O2S/c1-24-10-12-8-11(9-21-18(12)23-24)13-2-3-14-16(22-13)15(20)17(28-14)19(26)25-4-6-27-7-5-25/h2-3,8-10H,4-7,20H2,1H3
InChIKeyIDQHSQRCBZXHDP-UHFFFAOYSA-N
XLogP2.30
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 172583210
[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanediol
CID 172582722
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-(oxan-4-yl)methanol
CID 172542038
1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]propan-2-ol
CID 172542139
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
[7-amino-3-(1-methylindazol-5-yl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
CID 176733458
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
[(3S)-3-methoxypiperidin-1-yl]-[3-methyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-1-benzothiophen-2-yl]methanone
CID 172583332
(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
CID 43812028
(5-aminothieno[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 112755769
(5-aminothieno[2,3-c]pyridazin-6-yl)-morpholin-4-ylmethanone
CID 80518433

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone (CID 172583305) is [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone is Cn1cc2cc(-c3ccc4sc(C(=O)N5CCOCC5)c(N)c4n3)cnc2n1.
What is the InChIKey of [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IDQHSQRCBZXHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-24-10-12-8-11(9-21-18(12)23-24)13-2-3-14-16(22-13)15(20)17(28-14)19(26)25-4-6-27-7-5-25/h2-3,8-10H,4-7,20H2,1H3.
What are the key properties of [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 394.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 172583305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).