N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

C20H16ClN7O — CID 70656159

IUPACN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cn2cccnc2n1
InChIInChI=1S/C20H16ClN7O/c1-13(24-19(29)18-12-27-7-2-6-23-20(27)25-18)11-28-8-5-17(26-28)14-3-4-15(10-22)16(21)9-14/h2-9,12-13H,11H2,1H3,(H,24,29)
InChIKeyYHVNFZSACXAHTG-UHFFFAOYSA-N
MW405.85 g/mol
LogP2.94
Rot. Bonds5

About N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 70656159) has the molecular formula C20H16ClN7O and a molecular weight of 405.85 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID70656159
Molecular FormulaC20H16ClN7O
Molecular Weight405.85 g/mol
Exact Mass405.11
IUPAC NameN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cn2cccnc2n1
InChIInChI=1S/C20H16ClN7O/c1-13(24-19(29)18-12-27-7-2-6-23-20(27)25-18)11-28-8-5-17(26-28)14-3-4-15(10-22)16(21)9-14/h2-9,12-13H,11H2,1H3,(H,24,29)
InChIKeyYHVNFZSACXAHTG-UHFFFAOYSA-N
XLogP2.94
TPSA100.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 70656159) is N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cn2cccnc2n1.
What is the InChIKey of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is YHVNFZSACXAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O/c1-13(24-19(29)18-12-27-7-2-6-23-20(27)25-18)11-28-8-5-17(26-28)14-3-4-15(10-22)16(21)9-14/h2-9,12-13H,11H2,1H3,(H,24,29).
What are the key properties of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 405.85 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 70656159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).