N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C23H32N4O4 — CID 20604626

IUPACN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC3C4CCC(C4)C3CO)nn(CCN3CCOCC3)c12
InChIInChI=1S/C23H32N4O4/c1-30-19-4-2-3-17-21(23(29)24-20-16-6-5-15(13-16)18(20)14-28)25-27(22(17)19)8-7-26-9-11-31-12-10-26/h2-4,15-16,18,20,28H,5-14H2,1H3,(H,24,29)
InChIKeyQGWMWVFOXZIMCI-UHFFFAOYSA-N
MW428.53 g/mol
LogP1.51
Rot. Bonds7

About N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 20604626) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID20604626
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC3C4CCC(C4)C3CO)nn(CCN3CCOCC3)c12
InChIInChI=1S/C23H32N4O4/c1-30-19-4-2-3-17-21(23(29)24-20-16-6-5-15(13-16)18(20)14-28)25-27(22(17)19)8-7-26-9-11-31-12-10-26/h2-4,15-16,18,20,28H,5-14H2,1H3,(H,24,29)
InChIKeyQGWMWVFOXZIMCI-UHFFFAOYSA-N
XLogP1.51
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide
CID 20604385
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765480
7-methoxy-N-(2-methoxy-4-methyl-3-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765431
N-(2-bromo-5-methylphenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765316
(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 20604358
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethoxy)phenyl]indazole-3-carboxamide
CID 20604475

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 20604626) is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)NC3C4CCC(C4)C3CO)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is QGWMWVFOXZIMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-30-19-4-2-3-17-21(23(29)24-20-16-6-5-15(13-16)18(20)14-28)25-27(22(17)19)8-7-26-9-11-31-12-10-26/h2-4,15-16,18,20,28H,5-14H2,1H3,(H,24,29).
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 20604626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).