N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide

C27H37N7O5 — CID 121409016

IUPACN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
SMILESCOc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)C(C)(C)O)nc(OC[C@H]5CCCO5)n4)CC3)c12
InChIInChI=1S/C27H37N7O5/c1-16(27(2,3)36)29-25(35)19-14-21(31-26(30-19)39-15-18-6-5-13-38-18)34-11-8-17(9-12-34)23-22-20(37-4)7-10-28-24(22)33-32-23/h7,10,14,16-18,36H,5-6,8-9,11-13,15H2,1-4H3,(H,29,35)(H,28,32,33)/t16-,18-/m1/s1
InChIKeyVCFVXZQDSSPDDB-SJLPKXTDSA-N
MW539.64 g/mol
LogP2.59
Rot. Bonds9

About N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide

N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (PubChem CID 121409016) has the molecular formula C27H37N7O5 and a molecular weight of 539.64 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
PubChem CID121409016
Molecular FormulaC27H37N7O5
Molecular Weight539.64 g/mol
Exact Mass539.29
IUPAC NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
SMILESCOc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)C(C)(C)O)nc(OC[C@H]5CCCO5)n4)CC3)c12
InChIInChI=1S/C27H37N7O5/c1-16(27(2,3)36)29-25(35)19-14-21(31-26(30-19)39-15-18-6-5-13-38-18)34-11-8-17(9-12-34)23-22-20(37-4)7-10-28-24(22)33-32-23/h7,10,14,16-18,36H,5-6,8-9,11-13,15H2,1-4H3,(H,29,35)(H,28,32,33)/t16-,18-/m1/s1
InChIKeyVCFVXZQDSSPDDB-SJLPKXTDSA-N
XLogP2.59
TPSA147.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (CID 121409016) is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)N[C@H](C)C(C)(C)O)nc(OC[C@H]5CCCO5)n4)CC3)c12.
What is the InChIKey of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?
The InChIKey is VCFVXZQDSSPDDB-SJLPKXTDSA-N. The full InChI is InChI=1S/C27H37N7O5/c1-16(27(2,3)36)29-25(35)19-14-21(31-26(30-19)39-15-18-6-5-13-38-18)34-11-8-17(9-12-34)23-22-20(37-4)7-10-28-24(22)33-32-23/h7,10,14,16-18,36H,5-6,8-9,11-13,15H2,1-4H3,(H,29,35)(H,28,32,33)/t16-,18-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).