N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide

C28H33N5O2 — CID 135375562

IUPACN-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ccccc4)cc2C)C3)c1
InChIInChI=1S/C28H33N5O2/c1-21-15-24(23-7-5-4-6-8-23)9-10-25(21)17-31-19-28(20-31)11-13-32(14-12-28)27(35)33-18-26(16-29-33)30(3)22(2)34/h4-10,15-16,18H,11-14,17,19-20H2,1-3H3
InChIKeyFHXAGZASOQEWHD-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.41
Rot. Bonds4

About N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375562) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375562
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ccccc4)cc2C)C3)c1
InChIInChI=1S/C28H33N5O2/c1-21-15-24(23-7-5-4-6-8-23)9-10-25(21)17-31-19-28(20-31)11-13-32(14-12-28)27(35)33-18-26(16-29-33)30(3)22(2)34/h4-10,15-16,18H,11-14,17,19-20H2,1-3H3
InChIKeyFHXAGZASOQEWHD-UHFFFAOYSA-N
XLogP4.41
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide (CID 135375562) is N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ccccc4)cc2C)C3)c1.
What is the InChIKey of N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is FHXAGZASOQEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-21-15-24(23-7-5-4-6-8-23)9-10-25(21)17-31-19-28(20-31)11-13-32(14-12-28)27(35)33-18-26(16-29-33)30(3)22(2)34/h4-10,15-16,18H,11-14,17,19-20H2,1-3H3.
What are the key properties of N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 471.61 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-[(2-methyl-4-phenylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).