7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide

C27H29N5O3 — CID 10906799

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)
InChIKeyLFFHJYBWSPYGOB-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.29
Rot. Bonds8

About 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide (PubChem CID 10906799) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide
PubChem CID10906799
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)
InChIKeyLFFHJYBWSPYGOB-UHFFFAOYSA-N
XLogP3.29
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide (CID 10906799) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide is COc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
The InChIKey is LFFHJYBWSPYGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33).
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 10906799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).