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

C22H23F2N5O3 — CID 154697771

IUPAC5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4cc(F)cc(F)c4[nH]2)CC3)CC1
InChIInChI=1S/C22H23F2N5O3/c1-28(22(4-5-22)11-32-2)21(31)19-14-10-29(6-3-16(14)26-27-19)20(30)17-8-12-7-13(23)9-15(24)18(12)25-17/h7-9,25H,3-6,10-11H2,1-2H3,(H,26,27)
InChIKeyGPNADAWSALHYFO-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.62
Rot. Bonds5

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

5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 154697771) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID154697771
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4cc(F)cc(F)c4[nH]2)CC3)CC1
InChIInChI=1S/C22H23F2N5O3/c1-28(22(4-5-22)11-32-2)21(31)19-14-10-29(6-3-16(14)26-27-19)20(30)17-8-12-7-13(23)9-15(24)18(12)25-17/h7-9,25H,3-6,10-11H2,1-2H3,(H,26,27)
InChIKeyGPNADAWSALHYFO-UHFFFAOYSA-N
XLogP2.62
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 154697771) is 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is COCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4cc(F)cc(F)c4[nH]2)CC3)CC1.
What is the InChIKey of 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GPNADAWSALHYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-28(22(4-5-22)11-32-2)21(31)19-14-10-29(6-3-16(14)26-27-19)20(30)17-8-12-7-13(23)9-15(24)18(12)25-17/h7-9,25H,3-6,10-11H2,1-2H3,(H,26,27).
What are the key properties of 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-difluoro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 154697771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).