N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide

C23H27N7O3 — CID 137049436

IUPACN-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1c(C(=O)N2CCC3(CC2)CC3C(=O)N(C)C2CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C23H27N7O3/c1-14-16(13-24-30(14)22-25-19(31)18-4-3-9-29(18)26-22)20(32)28-10-7-23(8-11-28)12-17(23)21(33)27(2)15-5-6-15/h3-4,9,13,15,17H,5-8,10-12H2,1-2H3,(H,25,26,31)
InChIKeyFILSCQRSSFLQMS-UHFFFAOYSA-N
MW449.52 g/mol
LogP1.38
Rot. Bonds4

About N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide

N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 137049436) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID137049436
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC NameN-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1c(C(=O)N2CCC3(CC2)CC3C(=O)N(C)C2CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C23H27N7O3/c1-14-16(13-24-30(14)22-25-19(31)18-4-3-9-29(18)26-22)20(32)28-10-7-23(8-11-28)12-17(23)21(33)27(2)15-5-6-15/h3-4,9,13,15,17H,5-8,10-12H2,1-2H3,(H,25,26,31)
InChIKeyFILSCQRSSFLQMS-UHFFFAOYSA-N
XLogP1.38
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 137049436) is N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1c(C(=O)N2CCC3(CC2)CC3C(=O)N(C)C2CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is FILSCQRSSFLQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-14-16(13-24-30(14)22-25-19(31)18-4-3-9-29(18)26-22)20(32)28-10-7-23(8-11-28)12-17(23)21(33)27(2)15-5-6-15/h3-4,9,13,15,17H,5-8,10-12H2,1-2H3,(H,25,26,31).
What are the key properties of N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-6-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 137049436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).