4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide

C22H25N5O2 — CID 92613637

IUPAC4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(N)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C22H25N5O2/c1-16-13-21(23)27(25-16)19-9-7-17(8-10-19)22(28)26(15-20-6-4-12-29-20)14-18-5-2-3-11-24-18/h2-3,5,7-11,13,20H,4,6,12,14-15,23H2,1H3/t20-/m0/s1
InChIKeyVDTPDYIDNFOSPM-FQEVSTJZSA-N
MW391.48 g/mol
LogP2.98
Rot. Bonds6

About 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide

4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 92613637) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID92613637
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(N)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C22H25N5O2/c1-16-13-21(23)27(25-16)19-9-7-17(8-10-19)22(28)26(15-20-6-4-12-29-20)14-18-5-2-3-11-24-18/h2-3,5,7-11,13,20H,4,6,12,14-15,23H2,1H3/t20-/m0/s1
InChIKeyVDTPDYIDNFOSPM-FQEVSTJZSA-N
XLogP2.98
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342
2-[3-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)carbamoyl]anilino]acetic acid
CID 46988637
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 46979215
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 92613637) is 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(N)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2)n1.
What is the InChIKey of 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VDTPDYIDNFOSPM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-13-21(23)27(25-16)19-9-7-17(8-10-19)22(28)26(15-20-6-4-12-29-20)14-18-5-2-3-11-24-18/h2-3,5,7-11,13,20H,4,6,12,14-15,23H2,1H3/t20-/m0/s1.
What are the key properties of 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 92613637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).