N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H33N7O3 — CID 129298278

IUPACN-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CCN4CCCC4=O)CC3)cc2O1
InChIInChI=1S/C27H33N7O3/c1-27(2)17-19-15-21(30-26(36)20-18-29-34-8-4-6-28-25(20)34)22(16-23(19)37-27)32-12-9-31(10-13-32)11-14-33-7-3-5-24(33)35/h4,6,8,15-16,18H,3,5,7,9-14,17H2,1-2H3,(H,30,36)
InChIKeyCYFFQPMTKYZDLH-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.44
Rot. Bonds6

About N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129298278) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129298278
Molecular FormulaC27H33N7O3
Molecular Weight503.61 g/mol
Exact Mass503.26
IUPAC NameN-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CCN4CCCC4=O)CC3)cc2O1
InChIInChI=1S/C27H33N7O3/c1-27(2)17-19-15-21(30-26(36)20-18-29-34-8-4-6-28-25(20)34)22(16-23(19)37-27)32-12-9-31(10-13-32)11-14-33-7-3-5-24(33)35/h4,6,8,15-16,18H,3,5,7,9-14,17H2,1-2H3,(H,30,36)
InChIKeyCYFFQPMTKYZDLH-UHFFFAOYSA-N
XLogP2.44
TPSA95.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284345
N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284442
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-4-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505488
N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284078
N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284112
N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284254
6-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284274
N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284395
3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 129284483
N-[2,2-dimethyl-6-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284517
N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284574
N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284575

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129298278) is N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CCN4CCCC4=O)CC3)cc2O1.
What is the InChIKey of N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CYFFQPMTKYZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-27(2)17-19-15-21(30-26(36)20-18-29-34-8-4-6-28-25(20)34)22(16-23(19)37-27)32-12-9-31(10-13-32)11-14-33-7-3-5-24(33)35/h4,6,8,15-16,18H,3,5,7,9-14,17H2,1-2H3,(H,30,36).
What are the key properties of N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129298278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).