N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H27N5O5S — CID 156713946

IUPACN-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(C#N)cc2)c2c1C(=O)N(CC1(S(=O)C3(CO)COC3)CC1)CC2
InChIInChI=1S/C24H27N5O5S/c1-28-20-18(19(27-28)21(31)26-11-17-4-2-16(10-25)3-5-17)6-9-29(22(20)32)12-23(7-8-23)35(33)24(13-30)14-34-15-24/h2-5,30H,6-9,11-15H2,1H3,(H,26,31)
InChIKeyFXUKSZGPPJEPCD-UHFFFAOYSA-N
MW497.58 g/mol
LogP0.26
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 156713946) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID156713946
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC NameN-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(C#N)cc2)c2c1C(=O)N(CC1(S(=O)C3(CO)COC3)CC1)CC2
InChIInChI=1S/C24H27N5O5S/c1-28-20-18(19(27-28)21(31)26-11-17-4-2-16(10-25)3-5-17)6-9-29(22(20)32)12-23(7-8-23)35(33)24(13-30)14-34-15-24/h2-5,30H,6-9,11-15H2,1H3,(H,26,31)
InChIKeyFXUKSZGPPJEPCD-UHFFFAOYSA-N
XLogP0.26
TPSA137.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 156713946) is N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(C#N)cc2)c2c1C(=O)N(CC1(S(=O)C3(CO)COC3)CC1)CC2.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is FXUKSZGPPJEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-28-20-18(19(27-28)21(31)26-11-17-4-2-16(10-25)3-5-17)6-9-29(22(20)32)12-23(7-8-23)35(33)24(13-30)14-34-15-24/h2-5,30H,6-9,11-15H2,1H3,(H,26,31).
What are the key properties of N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-6-[[1-[3-(hydroxymethyl)oxetan-3-yl]sulfinylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 156713946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).