4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

C24H32N8O3 — CID 121409178

IUPAC4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(C)(C)O
InChIInChI=1S/C24H32N8O3/c1-14(24(2,3)34)26-21(33)20-27-22(29-23(28-20)35-13-15-6-7-15)32-11-8-16(9-12-32)18-17-5-4-10-25-19(17)31-30-18/h4-5,10,14-16,34H,6-9,11-13H2,1-3H3,(H,26,33)(H,25,30,31)/t14-/m1/s1
InChIKeyUUCKHMMZQJZXJY-CQSZACIVSA-N
MW480.57 g/mol
LogP2.20
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 121409178) has the molecular formula C24H32N8O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
PubChem CID121409178
Molecular FormulaC24H32N8O3
Molecular Weight480.57 g/mol
Exact Mass480.26
IUPAC Name4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(C)(C)O
InChIInChI=1S/C24H32N8O3/c1-14(24(2,3)34)26-21(33)20-27-22(29-23(28-20)35-13-15-6-7-15)32-11-8-16(9-12-32)18-17-5-4-10-25-19(17)31-30-18/h4-5,10,14-16,34H,6-9,11-13H2,1-3H3,(H,26,33)(H,25,30,31)/t14-/m1/s1
InChIKeyUUCKHMMZQJZXJY-CQSZACIVSA-N
XLogP2.20
TPSA142.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (CID 121409178) is 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is C[C@@H](NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(C)(C)O.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is UUCKHMMZQJZXJY-CQSZACIVSA-N. The full InChI is InChI=1S/C24H32N8O3/c1-14(24(2,3)34)26-21(33)20-27-22(29-23(28-20)35-13-15-6-7-15)32-11-8-16(9-12-32)18-17-5-4-10-25-19(17)31-30-18/h4-5,10,14-16,34H,6-9,11-13H2,1-3H3,(H,26,33)(H,25,30,31)/t14-/m1/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121409178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).