1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

C18H21N7O — CID 90164275

IUPAC1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESCN1CCC(NC(=O)Nc2ccc3ncc(-c4cn[nH]c4)cc3n2)CC1
InChIInChI=1S/C18H21N7O/c1-25-6-4-14(5-7-25)22-18(26)24-17-3-2-15-16(23-17)8-12(9-19-15)13-10-20-21-11-13/h2-3,8-11,14H,4-7H2,1H3,(H,20,21)(H2,22,23,24,26)
InChIKeySMQOEAYHLRPOFW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.24
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 90164275) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID90164275
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESCN1CCC(NC(=O)Nc2ccc3ncc(-c4cn[nH]c4)cc3n2)CC1
InChIInChI=1S/C18H21N7O/c1-25-6-4-14(5-7-25)22-18(26)24-17-3-2-15-16(23-17)8-12(9-19-15)13-10-20-21-11-13/h2-3,8-11,14H,4-7H2,1H3,(H,20,21)(H2,22,23,24,26)
InChIKeySMQOEAYHLRPOFW-UHFFFAOYSA-N
XLogP2.24
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]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-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 90164275) is 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is CN1CCC(NC(=O)Nc2ccc3ncc(-c4cn[nH]c4)cc3n2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is SMQOEAYHLRPOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-25-6-4-14(5-7-25)22-18(26)24-17-3-2-15-16(23-17)8-12(9-19-15)13-10-20-21-11-13/h2-3,8-11,14H,4-7H2,1H3,(H,20,21)(H2,22,23,24,26).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 351.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 90164275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).