(5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone

C19H21N5O2 — CID 162679119

IUPAC(5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cc2c(C(=O)N3CCN(C)CC3)n[nH]c2cc1-c1ccncc1
InChIInChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKeyIOMWELPPYPWWGO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.02
Rot. Bonds3

About (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone

(5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 162679119) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID162679119
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cc2c(C(=O)N3CCN(C)CC3)n[nH]c2cc1-c1ccncc1
InChIInChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKeyIOMWELPPYPWWGO-UHFFFAOYSA-N
XLogP2.02
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 162679119) is (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone is COc1cc2c(C(=O)N3CCN(C)CC3)n[nH]c2cc1-c1ccncc1.
What is the InChIKey of (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IOMWELPPYPWWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22).
What are the key properties of (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-6-pyridin-4-yl-1H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 162679119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).