(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone

C17H18ClN5O2 — CID 167791061

IUPAC(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H18ClN5O2/c1-9-15(10(2)20-19-9)14-8-25-6-5-23(14)17(24)16-12-7-11(18)3-4-13(12)21-22-16/h3-4,7,14H,5-6,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyGLWYZYABNKVDKI-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.77
Rot. Bonds2

About (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone

(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 167791061) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID167791061
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H18ClN5O2/c1-9-15(10(2)20-19-9)14-8-25-6-5-23(14)17(24)16-12-7-11(18)3-4-13(12)21-22-16/h3-4,7,14H,5-6,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyGLWYZYABNKVDKI-UHFFFAOYSA-N
XLogP2.77
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone (CID 167791061) is (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone is Cc1n[nH]c(C)c1C1COCCN1C(=O)c1n[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is GLWYZYABNKVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-9-15(10(2)20-19-9)14-8-25-6-5-23(14)17(24)16-12-7-11(18)3-4-13(12)21-22-16/h3-4,7,14H,5-6,8H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone?
(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 359.82 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 167791061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).