3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide

C22H32N4O3 — CID 91957844

IUPAC3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
SMILESCc1ccc2cnn(CCC(=O)NCC3(CN4CCOCC4)CCOCC3)c2c1
InChIInChI=1S/C22H32N4O3/c1-18-2-3-19-15-24-26(20(19)14-18)7-4-21(27)23-16-22(5-10-28-11-6-22)17-25-8-12-29-13-9-25/h2-3,14-15H,4-13,16-17H2,1H3,(H,23,27)
InChIKeyQQPMFVVOJAXYJO-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.98
Rot. Bonds7

About 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide

3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide (PubChem CID 91957844) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
PubChem CID91957844
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
SMILESCc1ccc2cnn(CCC(=O)NCC3(CN4CCOCC4)CCOCC3)c2c1
InChIInChI=1S/C22H32N4O3/c1-18-2-3-19-15-24-26(20(19)14-18)7-4-21(27)23-16-22(5-10-28-11-6-22)17-25-8-12-29-13-9-25/h2-3,14-15H,4-13,16-17H2,1H3,(H,23,27)
InChIKeyQQPMFVVOJAXYJO-UHFFFAOYSA-N
XLogP1.98
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide with MolForge

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Related Compounds

3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957995
3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
CID 91957375
N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide
CID 75767369
2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide
CID 91957828
2,6-dimethyl-3-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-4H-1,4-benzoxazine-2-carboxamide
CID 91957994
3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 91957824
3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91958003
1-(2,6-dimethylmorpholin-4-yl)-3-(6-methylindazol-1-yl)propan-1-one
CID 75767368
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328500
3-(6-methylindazol-1-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731502
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide (CID 91957844) is 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide is Cc1ccc2cnn(CCC(=O)NCC3(CN4CCOCC4)CCOCC3)c2c1.
What is the InChIKey of 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide?
The InChIKey is QQPMFVVOJAXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-18-2-3-19-15-24-26(20(19)14-18)7-4-21(27)23-16-22(5-10-28-11-6-22)17-25-8-12-29-13-9-25/h2-3,14-15H,4-13,16-17H2,1H3,(H,23,27).
What are the key properties of 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide?
3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide has a molecular weight of 400.52 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 91957844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).