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

C23H27N5O3 — CID 129284658

IUPACN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(CO)CC3)cc2O1
InChIInChI=1S/C23H27N5O3/c1-23(2)12-16-10-18(26-22(30)17-13-25-28-7-3-6-24-21(17)28)19(11-20(16)31-23)27-8-4-15(14-29)5-9-27/h3,6-7,10-11,13,15,29H,4-5,8-9,12,14H2,1-2H3,(H,26,30)
InChIKeyCCSLRBFZPUXZPP-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.90
Rot. Bonds4

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

N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284658) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284658
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(CO)CC3)cc2O1
InChIInChI=1S/C23H27N5O3/c1-23(2)12-16-10-18(26-22(30)17-13-25-28-7-3-6-24-21(17)28)19(11-20(16)31-23)27-8-4-15(14-29)5-9-27/h3,6-7,10-11,13,15,29H,4-5,8-9,12,14H2,1-2H3,(H,26,30)
InChIKeyCCSLRBFZPUXZPP-UHFFFAOYSA-N
XLogP2.90
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284658) is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(CO)CC3)cc2O1.
What is the InChIKey of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CCSLRBFZPUXZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-23(2)12-16-10-18(26-22(30)17-13-25-28-7-3-6-24-21(17)28)19(11-20(16)31-23)27-8-4-15(14-29)5-9-27/h3,6-7,10-11,13,15,29H,4-5,8-9,12,14H2,1-2H3,(H,26,30).
What are the key properties of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).