1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide

C20H26N6O2 — CID 70783861

IUPAC1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)n(C)n1
InChIInChI=1S/C20H26N6O2/c1-4-6-14-13-17(25(3)22-14)20(27)21-19-18-15(24(2)23-19)7-5-8-16(18)26-9-11-28-12-10-26/h5,7-8,13H,4,6,9-12H2,1-3H3,(H,21,23,27)
InChIKeyIXCBXDCMIDWKJB-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.35
Rot. Bonds5

About 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide

1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide (PubChem CID 70783861) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide
PubChem CID70783861
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)n(C)n1
InChIInChI=1S/C20H26N6O2/c1-4-6-14-13-17(25(3)22-14)20(27)21-19-18-15(24(2)23-19)7-5-8-16(18)26-9-11-28-12-10-26/h5,7-8,13H,4,6,9-12H2,1-3H3,(H,21,23,27)
InChIKeyIXCBXDCMIDWKJB-UHFFFAOYSA-N
XLogP2.35
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide (CID 70783861) is 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)n(C)n1.
What is the InChIKey of 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide?
The InChIKey is IXCBXDCMIDWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-4-6-14-13-17(25(3)22-14)20(27)21-19-18-15(24(2)23-19)7-5-8-16(18)26-9-11-28-12-10-26/h5,7-8,13H,4,6,9-12H2,1-3H3,(H,21,23,27).
What are the key properties of 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide?
1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70783861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).