1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea

C21H25N7O — CID 71249335

IUPAC1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1ccc2ncc(-c3cnn(CC4CNC4)c3)cc2n1)NC1CCCC1
InChIInChI=1S/C21H25N7O/c29-21(25-17-3-1-2-4-17)27-20-6-5-18-19(26-20)7-15(10-23-18)16-11-24-28(13-16)12-14-8-22-9-14/h5-7,10-11,13-14,17,22H,1-4,8-9,12H2,(H2,25,26,27,29)
InChIKeyOCQAZZIIXDPKQK-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.78
Rot. Bonds5

About 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea

1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea (PubChem CID 71249335) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
PubChem CID71249335
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1ccc2ncc(-c3cnn(CC4CNC4)c3)cc2n1)NC1CCCC1
InChIInChI=1S/C21H25N7O/c29-21(25-17-3-1-2-4-17)27-20-6-5-18-19(26-20)7-15(10-23-18)16-11-24-28(13-16)12-14-8-22-9-14/h5-7,10-11,13-14,17,22H,1-4,8-9,12H2,(H2,25,26,27,29)
InChIKeyOCQAZZIIXDPKQK-UHFFFAOYSA-N
XLogP2.78
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249446
1-[7-[2-(azetidin-3-ylmethyl)-3,4-dihydropyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249459
1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
CID 90164320
1-cyclopentyl-3-[7-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164218
1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
CID 136628684
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-[(1R)-1-cyclohexylethyl]-3-[7-[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249555
1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164354
N-propan-2-yl-4-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidine-1-carboxamide
CID 118504146
1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 71249479
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine
CID 90288693

Frequently Asked Questions

What is the IUPAC name of 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea (CID 71249335) is 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea is O=C(Nc1ccc2ncc(-c3cnn(CC4CNC4)c3)cc2n1)NC1CCCC1.
What is the InChIKey of 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The InChIKey is OCQAZZIIXDPKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c29-21(25-17-3-1-2-4-17)27-20-6-5-18-19(26-20)7-15(10-23-18)16-11-24-28(13-16)12-14-8-22-9-14/h5-7,10-11,13-14,17,22H,1-4,8-9,12H2,(H2,25,26,27,29).
What are the key properties of 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea has a molecular weight of 391.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 71249335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).