1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

C37H39N5O3 — CID 22106244

IUPAC1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2cccc(OCc3ccncc3)c2)c2cccnc2n(CC2CC2)c1=O
InChIInChI=1S/C37H39N5O3/c1-23(2)29-10-6-11-30(24(3)4)33(29)40-37(44)41-34-32(27-8-5-9-28(20-27)45-22-26-15-18-38-19-16-26)31-12-7-17-39-35(31)42(36(34)43)21-25-13-14-25/h5-12,15-20,23-25H,13-14,21-22H2,1-4H3,(H2,40,41,44)
InChIKeyFKSGKPVNKWSZKE-UHFFFAOYSA-N
MW601.75 g/mol
LogP8.34
Rot. Bonds10

About 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 22106244) has the molecular formula C37H39N5O3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID22106244
Molecular FormulaC37H39N5O3
Molecular Weight601.75 g/mol
Exact Mass601.31
IUPAC Name1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2cccc(OCc3ccncc3)c2)c2cccnc2n(CC2CC2)c1=O
InChIInChI=1S/C37H39N5O3/c1-23(2)29-10-6-11-30(24(3)4)33(29)40-37(44)41-34-32(27-8-5-9-28(20-27)45-22-26-15-18-38-19-16-26)31-12-7-17-39-35(31)42(36(34)43)21-25-13-14-25/h5-12,15-20,23-25H,13-14,21-22H2,1-4H3,(H2,40,41,44)
InChIKeyFKSGKPVNKWSZKE-UHFFFAOYSA-N
XLogP8.34
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea (CID 22106244) is 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2cccc(OCc3ccncc3)c2)c2cccnc2n(CC2CC2)c1=O.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is FKSGKPVNKWSZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O3/c1-23(2)29-10-6-11-30(24(3)4)33(29)40-37(44)41-34-32(27-8-5-9-28(20-27)45-22-26-15-18-38-19-16-26)31-12-7-17-39-35(31)42(36(34)43)21-25-13-14-25/h5-12,15-20,23-25H,13-14,21-22H2,1-4H3,(H2,40,41,44).
What are the key properties of 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 601.75 g/mol, XLogP of 8.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-2-oxo-4-[3-(pyridin-4-ylmethoxy)phenyl]-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 22106244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).