7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17ClFN5O — CID 137450923

IUPAC7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C18H17ClFN5O/c1-24(10-11-5-3-2-4-6-11)16-8-15(19)23-17-12(9-21-25(16)17)18(26)22-14-7-13(14)20/h2-6,8-9,13-14H,7,10H2,1H3,(H,22,26)/t13-,14+/m0/s1
InChIKeyIMWILGZKXCMTFQ-UONOGXRCSA-N
MW373.82 g/mol
LogP2.86
Rot. Bonds5

About 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450923) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450923
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C18H17ClFN5O/c1-24(10-11-5-3-2-4-6-11)16-8-15(19)23-17-12(9-21-25(16)17)18(26)22-14-7-13(14)20/h2-6,8-9,13-14H,7,10H2,1H3,(H,22,26)/t13-,14+/m0/s1
InChIKeyIMWILGZKXCMTFQ-UONOGXRCSA-N
XLogP2.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450923) is 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IMWILGZKXCMTFQ-UONOGXRCSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-24(10-11-5-3-2-4-6-11)16-8-15(19)23-17-12(9-21-25(16)17)18(26)22-14-7-13(14)20/h2-6,8-9,13-14H,7,10H2,1H3,(H,22,26)/t13-,14+/m0/s1.
What are the key properties of 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).