2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid

C25H21F2N7O4 — CID 155260004

IUPAC2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCN(C(=O)c1n[nH]c2c1CN(C(=O)c1cc3c(F)c(F)ccc3[nH]1)CC2)C1(c2ncc(C(=O)O)cn2)CC1
InChIInChI=1S/C25H21F2N7O4/c1-33(25(5-6-25)24-28-9-12(10-29-24)23(37)38)22(36)20-14-11-34(7-4-17(14)31-32-20)21(35)18-8-13-16(30-18)3-2-15(26)19(13)27/h2-3,8-10,30H,4-7,11H2,1H3,(H,31,32)(H,37,38)
InChIKeyDUWXEZBFQYKPCU-UHFFFAOYSA-N
MW521.48 g/mol
LogP2.62
Rot. Bonds5

About 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid

2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid (PubChem CID 155260004) has the molecular formula C25H21F2N7O4 and a molecular weight of 521.48 g/mol. Its IUPAC name is 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid
PubChem CID155260004
Molecular FormulaC25H21F2N7O4
Molecular Weight521.48 g/mol
Exact Mass521.16
IUPAC Name2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCN(C(=O)c1n[nH]c2c1CN(C(=O)c1cc3c(F)c(F)ccc3[nH]1)CC2)C1(c2ncc(C(=O)O)cn2)CC1
InChIInChI=1S/C25H21F2N7O4/c1-33(25(5-6-25)24-28-9-12(10-29-24)23(37)38)22(36)20-14-11-34(7-4-17(14)31-32-20)21(35)18-8-13-16(30-18)3-2-15(26)19(13)27/h2-3,8-10,30H,4-7,11H2,1H3,(H,31,32)(H,37,38)
InChIKeyDUWXEZBFQYKPCU-UHFFFAOYSA-N
XLogP2.62
TPSA148.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.48
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid (CID 155260004) is 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid is CN(C(=O)c1n[nH]c2c1CN(C(=O)c1cc3c(F)c(F)ccc3[nH]1)CC2)C1(c2ncc(C(=O)O)cn2)CC1.
What is the InChIKey of 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
The InChIKey is DUWXEZBFQYKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7O4/c1-33(25(5-6-25)24-28-9-12(10-29-24)23(37)38)22(36)20-14-11-34(7-4-17(14)31-32-20)21(35)18-8-13-16(30-18)3-2-15(26)19(13)27/h2-3,8-10,30H,4-7,11H2,1H3,(H,31,32)(H,37,38).
What are the key properties of 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid?
2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid has a molecular weight of 521.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]-methylamino]cyclopropyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 155260004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).