N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

C27H32N6O3 — CID 177149802

IUPACN-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(N4CCC5(COC5)C4)c(=O)n(C4(C)CCC4)n3)cn(C3CC3)c2cn1
InChIInChI=1S/C27H32N6O3/c1-17(34)29-24-10-19-20(13-32(18-4-5-18)23(19)12-28-24)21-11-22(31-9-8-27(14-31)15-36-16-27)25(35)33(30-21)26(2)6-3-7-26/h10-13,18H,3-9,14-16H2,1-2H3,(H,28,29,34)
InChIKeyCADPGVIFMNXCIW-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.68
Rot. Bonds5

About N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 177149802) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID177149802
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC NameN-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(N4CCC5(COC5)C4)c(=O)n(C4(C)CCC4)n3)cn(C3CC3)c2cn1
InChIInChI=1S/C27H32N6O3/c1-17(34)29-24-10-19-20(13-32(18-4-5-18)23(19)12-28-24)21-11-22(31-9-8-27(14-31)15-36-16-27)25(35)33(30-21)26(2)6-3-7-26/h10-13,18H,3-9,14-16H2,1-2H3,(H,28,29,34)
InChIKeyCADPGVIFMNXCIW-UHFFFAOYSA-N
XLogP3.68
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 177149802) is N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc(N4CCC5(COC5)C4)c(=O)n(C4(C)CCC4)n3)cn(C3CC3)c2cn1.
What is the InChIKey of N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is CADPGVIFMNXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-17(34)29-24-10-19-20(13-32(18-4-5-18)23(19)12-28-24)21-11-22(31-9-8-27(14-31)15-36-16-27)25(35)33(30-21)26(2)6-3-7-26/h10-13,18H,3-9,14-16H2,1-2H3,(H,28,29,34).
What are the key properties of N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-3-[1-(1-methylcyclobutyl)-5-(2-oxa-7-azaspiro[3.4]octan-7-yl)-6-oxopyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 177149802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).