4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C21H18ClN5O — CID 118869457

IUPAC4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESClc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C21H18ClN5O/c22-15-3-1-14(2-4-15)17-13-19(27-9-11-28-12-10-27)25-20-16(17)5-7-23-21(20)18-6-8-24-26-18/h1-8,13H,9-12H2,(H,24,26)
InChIKeyRQBLLIOFPMHSBK-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.18
Rot. Bonds3

About 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869457) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869457
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESClc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C21H18ClN5O/c22-15-3-1-14(2-4-15)17-13-19(27-9-11-28-12-10-27)25-20-16(17)5-7-23-21(20)18-6-8-24-26-18/h1-8,13H,9-12H2,(H,24,26)
InChIKeyRQBLLIOFPMHSBK-UHFFFAOYSA-N
XLogP4.18
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Elimusertib
CID 118869362
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
N4-(3-chloro-1H-indazol-4-yl)-N2-(3,5-dimorpholinophenyl)pyrimidine-2,4-diamine
CID 52945780
Tinengotinib
CID 137279257
N-(6-(3H-imidazo[4,5-b]pyridin-6-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321410
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556035
4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]morpholine
CID 71253802
4-(4-(1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 85472857
4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 90400634
US10772893, Example 286
CID 118869094
US10772893, Example 143
CID 118869117
4-[4-(Methylsulfonyl)phenyl]-2-(4-morpholinyl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridine
CID 118869191

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869457) is 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Clc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is RQBLLIOFPMHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-15-3-1-14(2-4-15)17-13-19(27-9-11-28-12-10-27)25-20-16(17)5-7-23-21(20)18-6-8-24-26-18/h1-8,13H,9-12H2,(H,24,26).
What are the key properties of 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 391.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).