5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

About 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 155259952) has the molecular formula C27H23ClFN5O3 and a molecular weight of 519.96 g/mol. Its IUPAC name is 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name	5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID	155259952
Molecular Formula	C27H23ClFN5O3
Molecular Weight	519.96 g/mol
Exact Mass	519.15
IUPAC Name	5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILES	CN(C(=O)c1cnn2c1CN(C(=O)c1cc3c(Cl)c(F)ccc3[nH]1)CC2)C1(c2ccc(C=O)cc2)CC1
InChI	InChI=1S/C27H23ClFN5O3/c1-32(27(8-9-27)17-4-2-16(15-35)3-5-17)25(36)19-13-30-34-11-10-33(14-23(19)34)26(37)22-12-18-21(31-22)7-6-20(29)24(18)28/h2-7,12-13,15,31H,8-11,14H2,1H3
InChIKey	CZOFNJFZGLSWHC-UHFFFAOYSA-N
XLogP	4.39
TPSA	91.30 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.96
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 155259952) is 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CN(C(=O)c1cnn2c1CN(C(=O)c1cc3c(Cl)c(F)ccc3[nH]1)CC2)C1(c2ccc(C=O)cc2)CC1.

What is the InChIKey of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is CZOFNJFZGLSWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN5O3/c1-32(27(8-9-27)17-4-2-16(15-35)3-5-17)25(36)19-13-30-34-11-10-33(14-23(19)34)26(37)22-12-18-21(31-22)7-6-20(29)24(18)28/h2-7,12-13,15,31H,8-11,14H2,1H3.

What are the key properties of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 519.96 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 155259952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).