[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C24H22ClN5O2 — CID 124967747

IUPAC[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cnc2c(C(=O)N3CCO[C@H](c4cccc(Cc5cccc(Cl)c5)n4)C3)cnn2c1
InChIInChI=1S/C24H22ClN5O2/c1-16-12-26-23-20(13-27-30(23)14-16)24(31)29-8-9-32-22(15-29)21-7-3-6-19(28-21)11-17-4-2-5-18(25)10-17/h2-7,10,12-14,22H,8-9,11,15H2,1H3/t22-/m0/s1
InChIKeyIVLROHOZYJYKPX-QFIPXVFZSA-N
MW447.93 g/mol
LogP3.89
Rot. Bonds4

About [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 124967747) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID124967747
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cnc2c(C(=O)N3CCO[C@H](c4cccc(Cc5cccc(Cl)c5)n4)C3)cnn2c1
InChIInChI=1S/C24H22ClN5O2/c1-16-12-26-23-20(13-27-30(23)14-16)24(31)29-8-9-32-22(15-29)21-7-3-6-19(28-21)11-17-4-2-5-18(25)10-17/h2-7,10,12-14,22H,8-9,11,15H2,1H3/t22-/m0/s1
InChIKeyIVLROHOZYJYKPX-QFIPXVFZSA-N
XLogP3.89
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014027
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 127250237
[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124963764
2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
CID 127250042
[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124993388
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125007104
(4-methylpyrazolo[1,5-a]pyridin-3-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 137345147
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 137342067
[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 124970106
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124981037

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 124967747) is [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1cnc2c(C(=O)N3CCO[C@H](c4cccc(Cc5cccc(Cl)c5)n4)C3)cnn2c1.
What is the InChIKey of [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is IVLROHOZYJYKPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-16-12-26-23-20(13-27-30(23)14-16)24(31)29-8-9-32-22(15-29)21-7-3-6-19(28-21)11-17-4-2-5-18(25)10-17/h2-7,10,12-14,22H,8-9,11,15H2,1H3/t22-/m0/s1.
What are the key properties of [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 447.93 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 124967747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).