5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C23H25F2N5O3 — CID 142576627

IUPAC5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(F)cc(F)cc4[nH]2)CC3)CC1
InChIInChI=1S/C23H25F2N5O3/c1-3-33-12-23(5-6-23)29(2)22(32)20-15-11-30(7-4-17(15)27-28-20)21(31)19-10-14-16(25)8-13(24)9-18(14)26-19/h8-10,26H,3-7,11-12H2,1-2H3,(H,27,28)
InChIKeyATRHAQUAPBPQSV-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.01
Rot. Bonds6

About 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142576627) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID142576627
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(F)cc(F)cc4[nH]2)CC3)CC1
InChIInChI=1S/C23H25F2N5O3/c1-3-33-12-23(5-6-23)29(2)22(32)20-15-11-30(7-4-17(15)27-28-20)21(31)19-10-14-16(25)8-13(24)9-18(14)26-19/h8-10,26H,3-7,11-12H2,1-2H3,(H,27,28)
InChIKeyATRHAQUAPBPQSV-UHFFFAOYSA-N
XLogP3.01
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 142576627) is 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(F)cc(F)cc4[nH]2)CC3)CC1.
What is the InChIKey of 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ATRHAQUAPBPQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-3-33-12-23(5-6-23)29(2)22(32)20-15-11-30(7-4-17(15)27-28-20)21(31)19-10-14-16(25)8-13(24)9-18(14)26-19/h8-10,26H,3-7,11-12H2,1-2H3,(H,27,28).
What are the key properties of 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142576627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).