1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea

C32H29N5O2 — CID 59846146

IUPAC1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@@H]1CCN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)C1
InChIInChI=1S/C32H29N5O2/c38-31-28-19-27(23-7-3-1-4-8-23)30(36-29(28)15-17-33-31)24-13-11-22(12-14-24)20-37-18-16-26(21-37)35-32(39)34-25-9-5-2-6-10-25/h1-15,17,19,26H,16,18,20-21H2,(H,33,38)(H2,34,35,39)/t26-/m1/s1
InChIKeyDFMGBBJVOMNLHG-AREMUKBSSA-N
MW515.62 g/mol
LogP5.65
Rot. Bonds6

About 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea

1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea (PubChem CID 59846146) has the molecular formula C32H29N5O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea
PubChem CID59846146
Molecular FormulaC32H29N5O2
Molecular Weight515.62 g/mol
Exact Mass515.23
IUPAC Name1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@@H]1CCN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)C1
InChIInChI=1S/C32H29N5O2/c38-31-28-19-27(23-7-3-1-4-8-23)30(36-29(28)15-17-33-31)24-13-11-22(12-14-24)20-37-18-16-26(21-37)35-32(39)34-25-9-5-2-6-10-25/h1-15,17,19,26H,16,18,20-21H2,(H,33,38)(H2,34,35,39)/t26-/m1/s1
InChIKeyDFMGBBJVOMNLHG-AREMUKBSSA-N
XLogP5.65
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-ylmethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 143309013
3-[[(2E)-2-(cyclopropylmethylidene)but-3-ynoyl]amino]-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzamide
CID 145182859
1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 11621519
2-[4-[[3-[4-(dimethylamino)phenyl]pyrrolidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 11527352
(E)-N-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]but-2-enamide
CID 168810820
2-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11555530
2-[4-[(4-ethenylsulfanylpiperazin-1-yl)methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 177349423
3-phenyl-2-[4-[[4-(1-pyridin-2-ylimidazol-4-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 11714410
3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11607100
1-ethyl-3-[(3R)-1-[[4-(2-phenylthieno[3,4-b]pyrazin-3-yl)phenyl]methyl]pyrrolidin-3-yl]urea
CID 10027127
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide
CID 87251881

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea?
The IUPAC name of 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea (CID 59846146) is 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea is O=C(Nc1ccccc1)N[C@@H]1CCN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)C1.
What is the InChIKey of 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea?
The InChIKey is DFMGBBJVOMNLHG-AREMUKBSSA-N. The full InChI is InChI=1S/C32H29N5O2/c38-31-28-19-27(23-7-3-1-4-8-23)30(36-29(28)15-17-33-31)24-13-11-22(12-14-24)20-37-18-16-26(21-37)35-32(39)34-25-9-5-2-6-10-25/h1-15,17,19,26H,16,18,20-21H2,(H,33,38)(H2,34,35,39)/t26-/m1/s1.
What are the key properties of 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea?
1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea has a molecular weight of 515.62 g/mol, XLogP of 5.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea is sourced from PubChem (CID 59846146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).