N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

C20H15ClFN7O — CID 70657399

IUPACN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESC[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1cn2cccnc2n1
InChIInChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1
InChIKeyFEQWMCIYPKQORD-LBPRGKRZSA-N
MW423.84 g/mol
LogP3.08
Rot. Bonds5

About N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 70657399) has the molecular formula C20H15ClFN7O and a molecular weight of 423.84 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID70657399
Molecular FormulaC20H15ClFN7O
Molecular Weight423.84 g/mol
Exact Mass423.10
IUPAC NameN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESC[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1cn2cccnc2n1
InChIInChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1
InChIKeyFEQWMCIYPKQORD-LBPRGKRZSA-N
XLogP3.08
TPSA100.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 46900108
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CID 46900259
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CID 56836188
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CID 58063117
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CID 70496595
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 70657399) is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is C[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1cn2cccnc2n1.
What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is FEQWMCIYPKQORD-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 423.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 70657399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).