[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

C19H17Cl2N3O2 — CID 137342067

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1cccn2ncc(C(=O)N3CCOC(c4ccc(Cl)c(Cl)c4)C3)c12
InChIInChI=1S/C19H17Cl2N3O2/c1-12-3-2-6-24-18(12)14(10-22-24)19(25)23-7-8-26-17(11-23)13-4-5-15(20)16(21)9-13/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyVQBJFJIMIICZMU-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.16
Rot. Bonds2

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 137342067) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID137342067
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1cccn2ncc(C(=O)N3CCOC(c4ccc(Cl)c(Cl)c4)C3)c12
InChIInChI=1S/C19H17Cl2N3O2/c1-12-3-2-6-24-18(12)14(10-22-24)19(25)23-7-8-26-17(11-23)13-4-5-15(20)16(21)9-13/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyVQBJFJIMIICZMU-UHFFFAOYSA-N
XLogP4.16
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpyrazolo[1,5-a]pyridin-3-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 137345147
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146042813
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 166186596
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95202636
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 137342067) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is Cc1cccn2ncc(C(=O)N3CCOC(c4ccc(Cl)c(Cl)c4)C3)c12.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is VQBJFJIMIICZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-12-3-2-6-24-18(12)14(10-22-24)19(25)23-7-8-26-17(11-23)13-4-5-15(20)16(21)9-13/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 390.27 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 137342067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).