N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

C34H37N9O4 — CID 169085137

IUPACN-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)c3c(N)[nH]nc3n2)CC1
InChIInChI=1S/C34H37N9O4/c1-19(2)32(45)41-15-12-22(13-16-41)26-17-24(28-29(35)39-40-30(28)38-26)21-8-10-23(11-9-21)37-31(44)25-18-42(20(3)4)34(47)43(33(25)46)27-7-5-6-14-36-27/h5-11,14,17-20,22H,12-13,15-16H2,1-4H3,(H,37,44)(H3,35,38,39,40)
InChIKeyMRZXEPDLNNMACD-UHFFFAOYSA-N
MW635.73 g/mol
LogP4.11
Rot. Bonds7

About N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide

N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 169085137) has the molecular formula C34H37N9O4 and a molecular weight of 635.73 g/mol. Its IUPAC name is N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID169085137
Molecular FormulaC34H37N9O4
Molecular Weight635.73 g/mol
Exact Mass635.30
IUPAC NameN-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)c3c(N)[nH]nc3n2)CC1
InChIInChI=1S/C34H37N9O4/c1-19(2)32(45)41-15-12-22(13-16-41)26-17-24(28-29(35)39-40-30(28)38-26)21-8-10-23(11-9-21)37-31(44)25-18-42(20(3)4)34(47)43(33(25)46)27-7-5-6-14-36-27/h5-11,14,17-20,22H,12-13,15-16H2,1-4H3,(H,37,44)(H3,35,38,39,40)
InChIKeyMRZXEPDLNNMACD-UHFFFAOYSA-N
XLogP4.11
TPSA173.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.73
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[4-[3-amino-1-ethyl-6-[1-(2-methylpropanoyl)piperidin-4-yl]indazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
CID 169085131
N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1,2-benzoxazol-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
CID 169085125
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 130466343
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-bromophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130447768
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(2,5-difluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130466309
6-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazolo[4,3-c]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide
CID 175918317
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-ethenyl-6-methyl-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide
CID 130447732
tert-butyl 4-[4-amino-5-[4-[(2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carbonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 130447752
N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 169085170
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
CID 143593560
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-bromo-6-(ethoxymethyl)-2-oxo-1-phenylpyridine-3-carboxamide
CID 130447818
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-(5-cyano-3-pyridinyl)-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 130471085

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide (CID 169085137) is N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is CC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccccn5)c4=O)cc3)c3c(N)[nH]nc3n2)CC1.
What is the InChIKey of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is MRZXEPDLNNMACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N9O4/c1-19(2)32(45)41-15-12-22(13-16-41)26-17-24(28-29(35)39-40-30(28)38-26)21-8-10-23(11-9-21)37-31(44)25-18-42(20(3)4)34(47)43(33(25)46)27-7-5-6-14-36-27/h5-11,14,17-20,22H,12-13,15-16H2,1-4H3,(H,37,44)(H3,35,38,39,40).
What are the key properties of N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide?
N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 635.73 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 169085137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).