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

C18H20N6O2 — CID 71249525

IUPAC1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCC1CCOCC1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C18H20N6O2/c25-18(20-8-12-3-5-26-6-4-12)24-17-2-1-15-16(23-17)7-13(9-19-15)14-10-21-22-11-14/h1-2,7,9-12H,3-6,8H2,(H,21,22)(H2,20,23,24,25)
InChIKeyAVXGJLSPXPUZRB-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.57
Rot. Bonds4

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

1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 71249525) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID71249525
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCC1CCOCC1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C18H20N6O2/c25-18(20-8-12-3-5-26-6-4-12)24-17-2-1-15-16(23-17)7-13(9-19-15)14-10-21-22-11-14/h1-2,7,9-12H,3-6,8H2,(H,21,22)(H2,20,23,24,25)
InChIKeyAVXGJLSPXPUZRB-UHFFFAOYSA-N
XLogP2.57
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 71249479
1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 141348291
1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164354
1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164265
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164317
3-[7-(oxan-4-ylmethylcarbamoylamino)quinolin-3-yl]benzoic acid
CID 177379567
1-(4-chloro-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913035
1-(4-bromo-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913036
N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 118497351
1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249335

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 71249525) is 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is O=C(NCC1CCOCC1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is AVXGJLSPXPUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(20-8-12-3-5-26-6-4-12)24-17-2-1-15-16(23-17)7-13(9-19-15)14-10-21-22-11-14/h1-2,7,9-12H,3-6,8H2,(H,21,22)(H2,20,23,24,25).
What are the key properties of 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 352.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 71249525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).