N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide

C29H29N5O2 — CID 163711247

IUPACN-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide
SMILESCC1(CCCc2ccccc2)CC12NC2CC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1
InChIInChI=1S/C29H29N5O2/c1-28(15-5-8-19-6-3-2-4-7-19)18-29(28)24(34-29)16-26(36)32-25-14-13-22-27(33-25)31-23(17-30-22)20-9-11-21(35)12-10-20/h2-4,6-7,9-14,17,24,34-35H,5,8,15-16,18H2,1H3,(H,31,32,33,36)
InChIKeyKJKFKGPGAIVXCM-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.87
Rot. Bonds8

About N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide

N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide (PubChem CID 163711247) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide
PubChem CID163711247
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC NameN-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide
SMILESCC1(CCCc2ccccc2)CC12NC2CC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1
InChIInChI=1S/C29H29N5O2/c1-28(15-5-8-19-6-3-2-4-7-19)18-29(28)24(34-29)16-26(36)32-25-14-13-22-27(33-25)31-23(17-30-22)20-9-11-21(35)12-10-20/h2-4,6-7,9-14,17,24,34-35H,5,8,15-16,18H2,1H3,(H,31,32,33,36)
InChIKeyKJKFKGPGAIVXCM-UHFFFAOYSA-N
XLogP4.87
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide (CID 163711247) is N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide is CC1(CCCc2ccccc2)CC12NC2CC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide?
The InChIKey is KJKFKGPGAIVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-28(15-5-8-19-6-3-2-4-7-19)18-29(28)24(34-29)16-26(36)32-25-14-13-22-27(33-25)31-23(17-30-22)20-9-11-21(35)12-10-20/h2-4,6-7,9-14,17,24,34-35H,5,8,15-16,18H2,1H3,(H,31,32,33,36).
What are the key properties of N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide?
N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide has a molecular weight of 479.58 g/mol, XLogP of 4.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide is sourced from PubChem (CID 163711247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).