N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

C18H27N5O2 — CID 53146890

IUPACN-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1
InChIInChI=1S/C18H27N5O2/c1-13(2)4-8-19-18(25)22-10-6-14(7-11-22)15-12-17(24)23-16(21(15)3)5-9-20-23/h5,9,12-14H,4,6-8,10-11H2,1-3H3,(H,19,25)
InChIKeyJKGNQFJYPKLAKM-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.97
Rot. Bonds4

About N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 53146890) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID53146890
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1
InChIInChI=1S/C18H27N5O2/c1-13(2)4-8-19-18(25)22-10-6-14(7-11-22)15-12-17(24)23-16(21(15)3)5-9-20-23/h5,9,12-14H,4,6-8,10-11H2,1-3H3,(H,19,25)
InChIKeyJKGNQFJYPKLAKM-UHFFFAOYSA-N
XLogP1.97
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (CID 53146890) is N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is CC(C)CCNC(=O)N1CCC(c2cc(=O)n3nccc3n2C)CC1.
What is the InChIKey of N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is JKGNQFJYPKLAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(2)4-8-19-18(25)22-10-6-14(7-11-22)15-12-17(24)23-16(21(15)3)5-9-20-23/h5,9,12-14H,4,6-8,10-11H2,1-3H3,(H,19,25).
What are the key properties of N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53146890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).