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

C25H31N7O3 — CID 135354419

IUPACN-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)C(C)N1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1
InChIInChI=1S/C25H31N7O3/c1-16(23(33)26-4)30-8-10-31(11-9-30)20-13-21-17(14-25(2,3)35-21)12-19(20)29-24(34)18-15-28-32-7-5-6-27-22(18)32/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,26,33)(H,29,34)
InChIKeyVYYVMKVYEPFJFB-UHFFFAOYSA-N
MW477.57 g/mol
LogP1.95
Rot. Bonds5

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

N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135354419) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135354419
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC NameN-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)C(C)N1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1
InChIInChI=1S/C25H31N7O3/c1-16(23(33)26-4)30-8-10-31(11-9-30)20-13-21-17(14-25(2,3)35-21)12-19(20)29-24(34)18-15-28-32-7-5-6-27-22(18)32/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,26,33)(H,29,34)
InChIKeyVYYVMKVYEPFJFB-UHFFFAOYSA-N
XLogP1.95
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297042
N-[6-[4-(1-amino-1-oxopropan-2-yl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298500
N-[2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298333
N-[6-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298193
N-[2,2-dimethyl-6-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297716
N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284270
N-[6-[4-[(2R)-2-ethyl-4-oxopyrrolidin-1-yl]piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157380711
N-[6-[3-(2-methoxyethyl)pyrrolidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338886
[1-[2,2-dimethyl-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-3H-1-benzofuran-6-yl]piperidin-4-yl]methyl diethyl phosphate
CID 129284402
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-[2-(iodomethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167375705

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]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-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135354419) is N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]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-[1-(methylamino)-1-oxopropan-2-yl]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-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)C(C)N1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1.
What is the InChIKey of N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VYYVMKVYEPFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-16(23(33)26-4)30-8-10-31(11-9-30)20-13-21-17(14-25(2,3)35-21)12-19(20)29-24(34)18-15-28-32-7-5-6-27-22(18)32/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,26,33)(H,29,34).
What are the key properties of N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-[4-[1-(methylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135354419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).