N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C24H29N5O2 — CID 160638884

IUPACN-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1=CC(C3CC3)=NC1)CC2)N1Cc2ccncc2C1
InChIInChI=1S/C24H29N5O2/c30-22(18-9-21(26-12-18)16-1-2-16)28-7-4-24(5-8-28)10-20(24)13-27-23(31)29-14-17-3-6-25-11-19(17)15-29/h3,6,9,11,16,20H,1-2,4-5,7-8,10,12-15H2,(H,27,31)
InChIKeyRIXCGUXESHOGMB-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.53
Rot. Bonds4

About N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 160638884) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID160638884
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1=CC(C3CC3)=NC1)CC2)N1Cc2ccncc2C1
InChIInChI=1S/C24H29N5O2/c30-22(18-9-21(26-12-18)16-1-2-16)28-7-4-24(5-8-28)10-20(24)13-27-23(31)29-14-17-3-6-25-11-19(17)15-29/h3,6,9,11,16,20H,1-2,4-5,7-8,10,12-15H2,(H,27,31)
InChIKeyRIXCGUXESHOGMB-UHFFFAOYSA-N
XLogP2.53
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 160638884) is N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)C1=CC(C3CC3)=NC1)CC2)N1Cc2ccncc2C1.
What is the InChIKey of N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is RIXCGUXESHOGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-22(18-9-21(26-12-18)16-1-2-16)28-7-4-24(5-8-28)10-20(24)13-27-23(31)29-14-17-3-6-25-11-19(17)15-29/h3,6,9,11,16,20H,1-2,4-5,7-8,10,12-15H2,(H,27,31).
What are the key properties of N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 160638884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).