N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide

C27H37N5O3 — CID 18765426

IUPACN-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C27H37N5O3/c1-20(2)31(19-21-9-11-22(12-10-21)29(3)4)27(33)25-23-7-6-8-24(34-5)26(23)32(28-25)14-13-30-15-17-35-18-16-30/h6-12,20H,13-19H2,1-5H3
InChIKeyGYORSQGAPOBEFI-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.49
Rot. Bonds9

About N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide (PubChem CID 18765426) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
PubChem CID18765426
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C27H37N5O3/c1-20(2)31(19-21-9-11-22(12-10-21)29(3)4)27(33)25-23-7-6-8-24(34-5)26(23)32(28-25)14-13-30-15-17-35-18-16-30/h6-12,20H,13-19H2,1-5H3
InChIKeyGYORSQGAPOBEFI-UHFFFAOYSA-N
XLogP3.49
TPSA63.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
CID 18765386
7-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604492
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-(2,3-dihydro-1H-inden-2-yl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604642
7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765480
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 20604358
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604626

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide (CID 18765426) is N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide is COc1cccc2c(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
The InChIKey is GYORSQGAPOBEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-20(2)31(19-21-9-11-22(12-10-21)29(3)4)27(33)25-23-7-6-8-24(34-5)26(23)32(28-25)14-13-30-15-17-35-18-16-30/h6-12,20H,13-19H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 18765426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).