7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane

C37H37Cl2F2N9O3 — CID 158011829

IUPAC7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane
SMILESCN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)O)cnn12.C[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H17ClFN5O.C15H13ClN4O2.C4H7F/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;1-19(9-10-5-3-2-4-6-10)13-7-12(16)18-14-11(15(21)22)8-17-20(13)14;1-3-2-4(3)5/h2-6,8-9,13-14H,7,10H2,1H3,(H,22,26);2-8H,9H2,1H3,(H,21,22);3-4H,2H2,1H3/t13-,14+;;3-,4+/m0.1/s1
InChIKeyFEZGWGUCSULFAH-KQHORTKWSA-N
MW764.67 g/mol
LogP6.94
Rot. Bonds9

About 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane

7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane (PubChem CID 158011829) has the molecular formula C37H37Cl2F2N9O3 and a molecular weight of 764.67 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane
PubChem CID158011829
Molecular FormulaC37H37Cl2F2N9O3
Molecular Weight764.67 g/mol
Exact Mass763.24
IUPAC Name7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane
SMILESCN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)O)cnn12.C[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H17ClFN5O.C15H13ClN4O2.C4H7F/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;1-19(9-10-5-3-2-4-6-10)13-7-12(16)18-14-11(15(21)22)8-17-20(13)14;1-3-2-4(3)5/h2-6,8-9,13-14H,7,10H2,1H3,(H,22,26);2-8H,9H2,1H3,(H,21,22);3-4H,2H2,1H3/t13-,14+;;3-,4+/m0.1/s1
InChIKeyFEZGWGUCSULFAH-KQHORTKWSA-N
XLogP6.94
TPSA133.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.67
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane with MolForge

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Related Compounds

7-(2-Chloro-4-fluorophenylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540373
2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097456
2-amino-N-[1-(8-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097914
tert-butyl-[3-[[5-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propyl]carbamic acid
CID 132084081
3-[[5-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propylcarbamic acid
CID 132084239
3-[[5-[2-(2-Chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propylcarbamic acid
CID 132084240
4-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-fluoropiperidine-1-carboxylic acid
CID 134360851
4-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-fluoropiperidine-1-carboxylic acid
CID 134360852
7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450923
5-[2-[5-Fluoro-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]ethyl]phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 156884678
5-[1-[2-[3-(Aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 162353295
7-Benzylamino-6-[4-(1H-pyrazol-1-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540513

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;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
The IUPAC name of 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane (CID 158011829) is 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane.
What is the SMILES notation for 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
The canonical SMILES for 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane is CN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(=O)O)cnn12.C[C@@H]1C[C@@H]1F.
What is the InChIKey of 7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
The InChIKey is FEZGWGUCSULFAH-KQHORTKWSA-N. The full InChI is InChI=1S/C18H17ClFN5O.C15H13ClN4O2.C4H7F/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;1-19(9-10-5-3-2-4-6-10)13-7-12(16)18-14-11(15(21)22)8-17-20(13)14;1-3-2-4(3)5/h2-6,8-9,13-14H,7,10H2,1H3,(H,22,26);2-8H,9H2,1H3,(H,21,22);3-4H,2H2,1H3/t13-,14+;;3-,4+/m0.1/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-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane?
7-[benzyl(methyl)amino]-5-chloro-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane has a molecular weight of 764.67 g/mol, XLogP of 6.94, 9 rotatable bonds, 2 hydrogen bond donors, and 10 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;7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane is sourced from PubChem (CID 158011829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).