(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone

C19H17Cl2N3O2 — CID 178095394

IUPAC(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone
SMILESCn1c(C(=O)N2CCOC[C@@H]2c2cccc(Cl)c2)cc2ccc(Cl)nc21
InChIInChI=1S/C19H17Cl2N3O2/c1-23-15(10-13-5-6-17(21)22-18(13)23)19(25)24-7-8-26-11-16(24)12-3-2-4-14(20)9-12/h2-6,9-10,16H,7-8,11H2,1H3/t16-/m1/s1
InChIKeyVCOSWRZAMJUCOH-MRXNPFEDSA-N
MW390.27 g/mol
LogP4.09
Rot. Bonds2

About (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone

(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone (PubChem CID 178095394) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone
PubChem CID178095394
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone
SMILESCn1c(C(=O)N2CCOC[C@@H]2c2cccc(Cl)c2)cc2ccc(Cl)nc21
InChIInChI=1S/C19H17Cl2N3O2/c1-23-15(10-13-5-6-17(21)22-18(13)23)19(25)24-7-8-26-11-16(24)12-3-2-4-14(20)9-12/h2-6,9-10,16H,7-8,11H2,1H3/t16-/m1/s1
InChIKeyVCOSWRZAMJUCOH-MRXNPFEDSA-N
XLogP4.09
TPSA47.36 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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-(3-chlorophenyl)morpholin-4-yl]-[1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095065
(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-methoxyphenyl)morpholin-4-yl]methanone
CID 178094981
[3-(3-chlorophenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 178095431
(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 47174397
2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
CID 56902551
(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 169156885
[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone
CID 136557448
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
(3S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125153592
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methyl-5-nitropyrrol-2-yl)methanone;hydrochloride
CID 120802613
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone (CID 178095394) is (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone is Cn1c(C(=O)N2CCOC[C@@H]2c2cccc(Cl)c2)cc2ccc(Cl)nc21.
What is the InChIKey of (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone?
The InChIKey is VCOSWRZAMJUCOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-23-15(10-13-5-6-17(21)22-18(13)23)19(25)24-7-8-26-11-16(24)12-3-2-4-14(20)9-12/h2-6,9-10,16H,7-8,11H2,1H3/t16-/m1/s1.
What are the key properties of (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone?
(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone has a molecular weight of 390.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 178095394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).