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

C25H31N5O3 — CID 142576935

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc2cc(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(COC(C)C)CC5)c4C3)[nH]c12
InChIInChI=1S/C25H31N5O3/c1-15(2)33-14-25(9-10-25)29(4)24(32)22-18-13-30(11-8-19(18)27-28-22)23(31)20-12-17-7-5-6-16(3)21(17)26-20/h5-7,12,15,26H,8-11,13-14H2,1-4H3,(H,27,28)
InChIKeyNSJNGSURBVMNHD-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.43
Rot. Bonds6

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

N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142576935) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID142576935
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cccc2cc(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(COC(C)C)CC5)c4C3)[nH]c12
InChIInChI=1S/C25H31N5O3/c1-15(2)33-14-25(9-10-25)29(4)24(32)22-18-13-30(11-8-19(18)27-28-22)23(31)20-12-17-7-5-6-16(3)21(17)26-20/h5-7,12,15,26H,8-11,13-14H2,1-4H3,(H,27,28)
InChIKeyNSJNGSURBVMNHD-UHFFFAOYSA-N
XLogP3.43
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 142576935) is N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc2cc(C(=O)N3CCc4[nH]nc(C(=O)N(C)C5(COC(C)C)CC5)c4C3)[nH]c12.
What is the InChIKey of N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NSJNGSURBVMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15(2)33-14-25(9-10-25)29(4)24(32)22-18-13-30(11-8-19(18)27-28-22)23(31)20-12-17-7-5-6-16(3)21(17)26-20/h5-7,12,15,26H,8-11,13-14H2,1-4H3,(H,27,28).
What are the key properties of N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(7-methyl-1H-indole-2-carbonyl)-N-[1-(propan-2-yloxymethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142576935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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