2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide

C16H17N7O2 — CID 138380473

IUPAC2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H17N7O2/c24-15(18-10-13-12-2-1-3-17-14(12)22-21-13)11-8-19-16(20-9-11)23-4-6-25-7-5-23/h1-3,8-9H,4-7,10H2,(H,18,24)(H,17,21,22)
InChIKeyRTMQRISWLMDZPG-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.51
Rot. Bonds4

About 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide

2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 138380473) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID138380473
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H17N7O2/c24-15(18-10-13-12-2-1-3-17-14(12)22-21-13)11-8-19-16(20-9-11)23-4-6-25-7-5-23/h1-3,8-9H,4-7,10H2,(H,18,24)(H,17,21,22)
InChIKeyRTMQRISWLMDZPG-UHFFFAOYSA-N
XLogP0.51
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138383819
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138385789
3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 138380246
1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138806208
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 138382520
4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154819196
2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138809856

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide (CID 138380473) is 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1[nH]nc2ncccc12)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is RTMQRISWLMDZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c24-15(18-10-13-12-2-1-3-17-14(12)22-21-13)11-8-19-16(20-9-11)23-4-6-25-7-5-23/h1-3,8-9H,4-7,10H2,(H,18,24)(H,17,21,22).
What are the key properties of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 138380473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).