1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea

C27H37N7O2 — CID 71249555

IUPAC1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1)C1CCCCC1
InChIInChI=1S/C27H37N7O2/c1-20(21-6-3-2-4-7-21)30-27(35)32-26-9-8-24-25(31-26)16-22(17-28-24)23-18-29-34(19-23)11-5-10-33-12-14-36-15-13-33/h8-9,16-21H,2-7,10-15H2,1H3,(H2,30,31,32,35)/t20-/m1/s1
InChIKeyCSINAHBIZTURNZ-HXUWFJFHSA-N
MW491.64 g/mol
LogP4.31
Rot. Bonds8

About 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea

1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea (PubChem CID 71249555) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
PubChem CID71249555
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Name1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1)C1CCCCC1
InChIInChI=1S/C27H37N7O2/c1-20(21-6-3-2-4-7-21)30-27(35)32-26-9-8-24-25(31-26)16-22(17-28-24)23-18-29-34(19-23)11-5-10-33-12-14-36-15-13-33/h8-9,16-21H,2-7,10-15H2,1H3,(H2,30,31,32,35)/t20-/m1/s1
InChIKeyCSINAHBIZTURNZ-HXUWFJFHSA-N
XLogP4.31
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea (CID 71249555) is 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea is C[C@@H](NC(=O)Nc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1)C1CCCCC1.
What is the InChIKey of 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
The InChIKey is CSINAHBIZTURNZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-20(21-6-3-2-4-7-21)30-27(35)32-26-9-8-24-25(31-26)16-22(17-28-24)23-18-29-34(19-23)11-5-10-33-12-14-36-15-13-33/h8-9,16-21H,2-7,10-15H2,1H3,(H2,30,31,32,35)/t20-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea?
1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea has a molecular weight of 491.64 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 71249555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).