7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C25H30N8O3 — CID 20604397

IUPAC7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)c3nnnn3C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H30N8O3/c1-31-24(27-29-30-31)20(17-18-7-4-3-5-8-18)26-25(34)22-19-9-6-10-21(35-2)23(19)33(28-22)12-11-32-13-15-36-16-14-32/h3-10,20H,11-17H2,1-2H3,(H,26,34)/t20-/m0/s1
InChIKeyHUEMKFZGIMWASZ-FQEVSTJZSA-N
MW490.57 g/mol
LogP1.61
Rot. Bonds9

About 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 20604397) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID20604397
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC Name7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)c3nnnn3C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H30N8O3/c1-31-24(27-29-30-31)20(17-18-7-4-3-5-8-18)26-25(34)22-19-9-6-10-21(35-2)23(19)33(28-22)12-11-32-13-15-36-16-14-32/h3-10,20H,11-17H2,1-2H3,(H,26,34)/t20-/m0/s1
InChIKeyHUEMKFZGIMWASZ-FQEVSTJZSA-N
XLogP1.61
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
N-[1-(4-chlorophenyl)propan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765301
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
CID 18765386
N-(2,3-dihydro-1H-inden-2-yl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604642
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
7-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604492
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765480
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604626
7-methoxy-N-(2-methoxy-4-methyl-3-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765431

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 20604397) is 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)c3nnnn3C)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is HUEMKFZGIMWASZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-31-24(27-29-30-31)20(17-18-7-4-3-5-8-18)26-25(34)22-19-9-6-10-21(35-2)23(19)33(28-22)12-11-32-13-15-36-16-14-32/h3-10,20H,11-17H2,1-2H3,(H,26,34)/t20-/m0/s1.
What are the key properties of 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 20604397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).