(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

C25H37N5O2S — CID 154684798

IUPAC(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
SMILESCC(C)C[C@H](CO)Nc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C25H37N5O2S/c1-16(2)12-17(15-31)27-19-14-22(29-25(3,4)5)28-18-13-21(33-24(18)19)20-9-10-26-30(20)23-8-6-7-11-32-23/h9-10,13-14,16-17,23,31H,6-8,11-12,15H2,1-5H3,(H2,27,28,29)/t17-,23?/m1/s1
InChIKeySRJUGZIEGNWPEX-LIXIDFRTSA-N
MW471.67 g/mol
LogP5.89
Rot. Bonds8

About (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

(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 (PubChem CID 154684798) has the molecular formula C25H37N5O2S and a molecular weight of 471.67 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID154684798
Molecular FormulaC25H37N5O2S
Molecular Weight471.67 g/mol
Exact Mass471.27
IUPAC Name(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
SMILESCC(C)C[C@H](CO)Nc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C25H37N5O2S/c1-16(2)12-17(15-31)27-19-14-22(29-25(3,4)5)28-18-13-21(33-24(18)19)20-9-10-26-30(20)23-8-6-7-11-32-23/h9-10,13-14,16-17,23,31H,6-8,11-12,15H2,1-5H3,(H2,27,28,29)/t17-,23?/m1/s1
InChIKeySRJUGZIEGNWPEX-LIXIDFRTSA-N
XLogP5.89
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.67
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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 154684798) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C[C@H](CO)Nc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.
What is the InChIKey of (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?
The InChIKey is SRJUGZIEGNWPEX-LIXIDFRTSA-N. The full InChI is InChI=1S/C25H37N5O2S/c1-16(2)12-17(15-31)27-19-14-22(29-25(3,4)5)28-18-13-21(33-24(18)19)20-9-10-26-30(20)23-8-6-7-11-32-23/h9-10,13-14,16-17,23,31H,6-8,11-12,15H2,1-5H3,(H2,27,28,29)/t17-,23?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 471.67 g/mol, XLogP of 5.89, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 154684798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).