N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H27N7O2 — CID 129297726

IUPACN-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC(c4ccn[nH]4)C3)cc2O1
InChIInChI=1S/C25H27N7O2/c1-25(2)13-17-11-20(29-24(33)18-14-28-32-10-4-7-26-23(18)32)21(12-22(17)34-25)31-9-3-5-16(15-31)19-6-8-27-30-19/h4,6-8,10-12,14,16H,3,5,9,13,15H2,1-2H3,(H,27,30)(H,29,33)
InChIKeyHPPDESJVERIRFJ-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.80
Rot. Bonds4

About N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297726) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297726
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC(c4ccn[nH]4)C3)cc2O1
InChIInChI=1S/C25H27N7O2/c1-25(2)13-17-11-20(29-24(33)18-14-28-32-10-4-7-26-23(18)32)21(12-22(17)34-25)31-9-3-5-16(15-31)19-6-8-27-30-19/h4,6-8,10-12,14,16H,3,5,9,13,15H2,1-2H3,(H,27,30)(H,29,33)
InChIKeyHPPDESJVERIRFJ-UHFFFAOYSA-N
XLogP3.80
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297726) is N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-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-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC(c4ccn[nH]4)C3)cc2O1.
What is the InChIKey of N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HPPDESJVERIRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-25(2)13-17-11-20(29-24(33)18-14-28-32-10-4-7-26-23(18)32)21(12-22(17)34-25)31-9-3-5-16(15-31)19-6-8-27-30-19/h4,6-8,10-12,14,16H,3,5,9,13,15H2,1-2H3,(H,27,30)(H,29,33).
What are the key properties of N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).