5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C23H17ClFN9O2 — CID 12000724

IUPAC5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C23H17ClFN9O2/c24-16-9-14(3-6-17(16)25)12-26-22(35)18-10-19(34-20(29-18)7-8-28-34)23(36)27-11-13-1-4-15(5-2-13)21-30-32-33-31-21/h1-10H,11-12H2,(H,26,35)(H,27,36)(H,30,31,32,33)
InChIKeyCBSYSEWZRDWTIA-UHFFFAOYSA-N
MW505.90 g/mol
LogP2.56
Rot. Bonds7

About 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 12000724) has the molecular formula C23H17ClFN9O2 and a molecular weight of 505.90 g/mol. Its IUPAC name is 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID12000724
Molecular FormulaC23H17ClFN9O2
Molecular Weight505.90 g/mol
Exact Mass505.12
IUPAC Name5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C23H17ClFN9O2/c24-16-9-14(3-6-17(16)25)12-26-22(35)18-10-19(34-20(29-18)7-8-28-34)23(36)27-11-13-1-4-15(5-2-13)21-30-32-33-31-21/h1-10H,11-12H2,(H,26,35)(H,27,36)(H,30,31,32,33)
InChIKeyCBSYSEWZRDWTIA-UHFFFAOYSA-N
XLogP2.56
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.90
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

MMP Inhibitor, 6
CID 12000721
3-(3-chlorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 44524414
2-[(3-Chlorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155534129
3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
CID 141429628
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CID 165414893
4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415037
4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide
CID 165415051
1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42933348
(S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 49865153
N-(3-chlorobenzyl)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(((2S,4R)-4-fluoropyrrolidin-2-yl)methyl)benzamide
CID 53321634
5-Chloro-2-fluoro-N-({6-phenyl-[1,2,4]triazolo[4,3-B]pyridazin-3-YL}methyl)benzamide
CID 91893378
(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 134138952

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 12000724) is 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)n2nccc2n1.
What is the InChIKey of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is CBSYSEWZRDWTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN9O2/c24-16-9-14(3-6-17(16)25)12-26-22(35)18-10-19(34-20(29-18)7-8-28-34)23(36)27-11-13-1-4-15(5-2-13)21-30-32-33-31-21/h1-10H,11-12H2,(H,26,35)(H,27,36)(H,30,31,32,33).
What are the key properties of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 505.90 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 12000724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).