7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide

C24H37N7O — CID 170596137

IUPAC7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCN(CCN2CCCC2)CC1)c1cnc2nc(N3CCCCCC3)ccn12
InChIInChI=1S/C24H37N7O/c32-23(26-20-7-14-29(15-8-20)18-17-28-10-5-6-11-28)21-19-25-24-27-22(9-16-31(21)24)30-12-3-1-2-4-13-30/h9,16,19-20H,1-8,10-15,17-18H2,(H,26,32)
InChIKeyPBYXYXVBRHSIMZ-UHFFFAOYSA-N
MW439.61 g/mol
LogP2.40
Rot. Bonds6

About 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide

7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 170596137) has the molecular formula C24H37N7O and a molecular weight of 439.61 g/mol. Its IUPAC name is 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID170596137
Molecular FormulaC24H37N7O
Molecular Weight439.61 g/mol
Exact Mass439.31
IUPAC Name7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCN(CCN2CCCC2)CC1)c1cnc2nc(N3CCCCCC3)ccn12
InChIInChI=1S/C24H37N7O/c32-23(26-20-7-14-29(15-8-20)18-17-28-10-5-6-11-28)21-19-25-24-27-22(9-16-31(21)24)30-12-3-1-2-4-13-30/h9,16,19-20H,1-8,10-15,17-18H2,(H,26,32)
InChIKeyPBYXYXVBRHSIMZ-UHFFFAOYSA-N
XLogP2.40
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 170596137) is 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCN(CCN2CCCC2)CC1)c1cnc2nc(N3CCCCCC3)ccn12.
What is the InChIKey of 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PBYXYXVBRHSIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O/c32-23(26-20-7-14-29(15-8-20)18-17-28-10-5-6-11-28)21-19-25-24-27-22(9-16-31(21)24)30-12-3-1-2-4-13-30/h9,16,19-20H,1-8,10-15,17-18H2,(H,26,32).
What are the key properties of 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide?
7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 439.61 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azepan-1-yl)-N-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170596137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).