N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

C24H31N5O3 — CID 67280810

IUPACN-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCC2(CC1)OC(=O)c1nc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C24H31N5O3/c1-27(13-14-29-11-3-4-12-29)22(30)17-7-9-24(10-8-17)19-5-6-20(18-15-25-28(2)16-18)26-21(19)23(31)32-24/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyPKPXIFVTWOWBKA-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (PubChem CID 67280810) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
PubChem CID67280810
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCC2(CC1)OC(=O)c1nc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C24H31N5O3/c1-27(13-14-29-11-3-4-12-29)22(30)17-7-9-24(10-8-17)19-5-6-20(18-15-25-28(2)16-18)26-21(19)23(31)32-24/h5-6,15-17H,3-4,7-14H2,1-2H3
InChIKeyPKPXIFVTWOWBKA-UHFFFAOYSA-N
XLogP2.59
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The IUPAC name of N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (CID 67280810) is N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.
What is the SMILES notation for N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The canonical SMILES for N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is CN(CCN1CCCC1)C(=O)C1CCC2(CC1)OC(=O)c1nc(-c3cnn(C)c3)ccc12.
What is the InChIKey of N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The InChIKey is PKPXIFVTWOWBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-27(13-14-29-11-3-4-12-29)22(30)17-7-9-24(10-8-17)19-5-6-20(18-15-25-28(2)16-18)26-21(19)23(31)32-24/h5-6,15-17H,3-4,7-14H2,1-2H3.
What are the key properties of N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2'-(1-methylpyrazol-4-yl)-7'-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is sourced from PubChem (CID 67280810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).