1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

C19H20N6O — CID 90164265

IUPAC1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cn[nH]c3)cc2n1)NC1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H20N6O/c26-19(24-16-6-11-1-2-12(16)5-11)25-18-4-3-15-17(23-18)7-13(8-20-15)14-9-21-22-10-14/h3-4,7-12,16H,1-2,5-6H2,(H,21,22)(H2,23,24,25,26)/t11-,12+,16?/m0/s1
InChIKeyXRCJFLJEXYKRLS-QXNREYOVSA-N
MW348.41 g/mol
LogP3.33
Rot. Bonds3

About 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 90164265) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID90164265
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cn[nH]c3)cc2n1)NC1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H20N6O/c26-19(24-16-6-11-1-2-12(16)5-11)25-18-4-3-15-17(23-18)7-13(8-20-15)14-9-21-22-10-14/h3-4,7-12,16H,1-2,5-6H2,(H,21,22)(H2,23,24,25,26)/t11-,12+,16?/m0/s1
InChIKeyXRCJFLJEXYKRLS-QXNREYOVSA-N
XLogP3.33
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 90164265) is 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is O=C(Nc1ccc2ncc(-c3cn[nH]c3)cc2n1)NC1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is XRCJFLJEXYKRLS-QXNREYOVSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(24-16-6-11-1-2-12(16)5-11)25-18-4-3-15-17(23-18)7-13(8-20-15)14-9-21-22-10-14/h3-4,7-12,16H,1-2,5-6H2,(H,21,22)(H2,23,24,25,26)/t11-,12+,16?/m0/s1.
What are the key properties of 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 348.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 90164265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).