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

C16H16N6O — CID 71249479

IUPAC1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCC1CC1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C16H16N6O/c23-16(18-6-10-1-2-10)22-15-4-3-13-14(21-15)5-11(7-17-13)12-8-19-20-9-12/h3-5,7-10H,1-2,6H2,(H,19,20)(H2,18,21,22,23)
InChIKeyKNGIMAJGKRMAOF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.55
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 71249479) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID71249479
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCC1CC1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C16H16N6O/c23-16(18-6-10-1-2-10)22-15-4-3-13-14(21-15)5-11(7-17-13)12-8-19-20-9-12/h3-5,7-10H,1-2,6H2,(H,19,20)(H2,18,21,22,23)
InChIKeyKNGIMAJGKRMAOF-UHFFFAOYSA-N
XLogP2.55
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 71249479) is 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is O=C(NCC1CC1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is KNGIMAJGKRMAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(18-6-10-1-2-10)22-15-4-3-13-14(21-15)5-11(7-17-13)12-8-19-20-9-12/h3-5,7-10H,1-2,6H2,(H,19,20)(H2,18,21,22,23).
What are the key properties of 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 308.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 71249479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).