(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine

C17H18ClN5O — CID 157045202

IUPAC(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc2c(Cl)cc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C17H18ClN5O/c1-11-3-4-13-14(18)7-16(21-17(13)20-11)23-5-6-24-15(10-23)12-8-19-22(2)9-12/h3-4,7-9,15H,5-6,10H2,1-2H3/t15-/m1/s1
InChIKeyICSCUKSEUHDWRV-OAHLLOKOSA-N
MW343.82 g/mol
LogP2.90
Rot. Bonds2

About (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine

(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157045202) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157045202
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc2c(Cl)cc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C17H18ClN5O/c1-11-3-4-13-14(18)7-16(21-17(13)20-11)23-5-6-24-15(10-23)12-8-19-22(2)9-12/h3-4,7-9,15H,5-6,10H2,1-2H3/t15-/m1/s1
InChIKeyICSCUKSEUHDWRV-OAHLLOKOSA-N
XLogP2.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(8-chloro-2-methylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185349
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347
(2S)-4-[4-(4,4-difluorocyclohexyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044784
2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 167283937
(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 166834560
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
5-(4-chlorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830594
2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one
CID 177151927
(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044906
5-(4-chloro-2,5-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830504
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine (CID 157045202) is (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine is Cc1ccc2c(Cl)cc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1.
What is the InChIKey of (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is ICSCUKSEUHDWRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-3-4-13-14(18)7-16(21-17(13)20-11)23-5-6-24-15(10-23)12-8-19-22(2)9-12/h3-4,7-9,15H,5-6,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine?
(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 343.82 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157045202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).