(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide

C17H17N5OS — CID 69046895

IUPAC(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccnc3[nH]ncc13)SCC[C@H]2N
InChIInChI=1S/C17H17N5OS/c1-9-6-11-13(18)3-5-24-15(11)7-10(9)17(23)21-14-2-4-19-16-12(14)8-20-22-16/h2,4,6-8,13H,3,5,18H2,1H3,(H2,19,20,21,22,23)/t13-/m1/s1
InChIKeyAUZMNIRFWCHVAK-CYBMUJFWSA-N
MW339.42 g/mol
LogP3.01
Rot. Bonds2

About (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide

(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide (PubChem CID 69046895) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide.

Molecular Properties

Compound Name(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide
PubChem CID69046895
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccnc3[nH]ncc13)SCC[C@H]2N
InChIInChI=1S/C17H17N5OS/c1-9-6-11-13(18)3-5-24-15(11)7-10(9)17(23)21-14-2-4-19-16-12(14)8-20-22-16/h2,4,6-8,13H,3,5,18H2,1H3,(H2,19,20,21,22,23)/t13-/m1/s1
InChIKeyAUZMNIRFWCHVAK-CYBMUJFWSA-N
XLogP3.01
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide?
The IUPAC name of (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide (CID 69046895) is (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide.
What is the SMILES notation for (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide?
The canonical SMILES for (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide is Cc1cc2c(cc1C(=O)Nc1ccnc3[nH]ncc13)SCC[C@H]2N.
What is the InChIKey of (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide?
The InChIKey is AUZMNIRFWCHVAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-9-6-11-13(18)3-5-24-15(11)7-10(9)17(23)21-14-2-4-19-16-12(14)8-20-22-16/h2,4,6-8,13H,3,5,18H2,1H3,(H2,19,20,21,22,23)/t13-/m1/s1.
What are the key properties of (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide?
(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide is sourced from PubChem (CID 69046895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).