N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C17H19N7O2 — CID 70717321

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3cn4cccnc4n3)C2)cc1=O
InChIInChI=1S/C17H19N7O2/c1-22-15(25)7-13(9-20-22)23-6-3-12(10-23)8-19-16(26)14-11-24-5-2-4-18-17(24)21-14/h2,4-5,7,9,11-12H,3,6,8,10H2,1H3,(H,19,26)
InChIKeyXEYCQRAEKKJQTC-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.08
Rot. Bonds4

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 70717321) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID70717321
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3cn4cccnc4n3)C2)cc1=O
InChIInChI=1S/C17H19N7O2/c1-22-15(25)7-13(9-20-22)23-6-3-12(10-23)8-19-16(26)14-11-24-5-2-4-18-17(24)21-14/h2,4-5,7,9,11-12H,3,6,8,10H2,1H3,(H,19,26)
InChIKeyXEYCQRAEKKJQTC-UHFFFAOYSA-N
XLogP0.08
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 70717321) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is Cn1ncc(N2CCC(CNC(=O)c3cn4cccnc4n3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is XEYCQRAEKKJQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-22-15(25)7-13(9-20-22)23-6-3-12(10-23)8-19-16(26)14-11-24-5-2-4-18-17(24)21-14/h2,4-5,7,9,11-12H,3,6,8,10H2,1H3,(H,19,26).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 70717321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).