(2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C26H35ClN4O — CID 42462339

IUPAC(2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nn(C)c(Cl)c1CN1CCC2(CC1)C[C@@H]2C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C26H35ClN4O/c1-19-21(23(27)30(2)29-19)17-31-14-12-25(13-15-31)16-22(25)24(32)28-18-26(10-6-7-11-26)20-8-4-3-5-9-20/h3-5,8-9,22H,6-7,10-18H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyPOPOVZBWAJLNSS-JOCHJYFZSA-N
MW455.05 g/mol
LogP4.61
Rot. Bonds6

About (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42462339) has the molecular formula C26H35ClN4O and a molecular weight of 455.05 g/mol. Its IUPAC name is (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42462339
Molecular FormulaC26H35ClN4O
Molecular Weight455.05 g/mol
Exact Mass454.25
IUPAC Name(2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nn(C)c(Cl)c1CN1CCC2(CC1)C[C@@H]2C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C26H35ClN4O/c1-19-21(23(27)30(2)29-19)17-31-14-12-25(13-15-31)16-22(25)24(32)28-18-26(10-6-7-11-26)20-8-4-3-5-9-20/h3-5,8-9,22H,6-7,10-18H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyPOPOVZBWAJLNSS-JOCHJYFZSA-N
XLogP4.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.05
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42371569
(2R)-6-[(2-hydroxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26276877
(2S)-N-[(1-phenylcyclopentyl)methyl]-6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42369897
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45187431
(2R)-6-[(3-ethoxy-4-methoxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42345173
(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346946
N-[(1-phenylcyclopentyl)methyl]-6-(3-phenylprop-2-enoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 74801916
6-(6-oxopyran-3-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466690
N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466656
6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45168168

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42462339) is (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1nn(C)c(Cl)c1CN1CCC2(CC1)C[C@@H]2C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is POPOVZBWAJLNSS-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H35ClN4O/c1-19-21(23(27)30(2)29-19)17-31-14-12-25(13-15-31)16-22(25)24(32)28-18-26(10-6-7-11-26)20-8-4-3-5-9-20/h3-5,8-9,22H,6-7,10-18H2,1-2H3,(H,28,32)/t22-/m1/s1.
What are the key properties of (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 455.05 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42462339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).