[(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C24H41N5O2 — CID 51631234

IUPAC[(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC(C)(C)N1CCOCC1)C2
InChIInChI=1S/C24H41N5O2/c1-4-10-29-21-9-8-19(25-18-24(2,3)28-13-15-31-16-14-28)17-20(21)22(26-29)23(30)27-11-6-5-7-12-27/h19,25H,4-18H2,1-3H3/t19-/m0/s1
InChIKeyWWOMEIBGUMPWHD-IBGZPJMESA-N
MW431.63 g/mol
LogP2.48
Rot. Bonds7

About [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 51631234) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID51631234
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC Name[(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC(C)(C)N1CCOCC1)C2
InChIInChI=1S/C24H41N5O2/c1-4-10-29-21-9-8-19(25-18-24(2,3)28-13-15-31-16-14-28)17-20(21)22(26-29)23(30)27-11-6-5-7-12-27/h19,25H,4-18H2,1-3H3/t19-/m0/s1
InChIKeyWWOMEIBGUMPWHD-IBGZPJMESA-N
XLogP2.48
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[(5S)-1-ethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 51632902
[5-[2-(4-morpholin-4-ylphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 167341646
(4-methylpiperazin-1-yl)-[(5S)-1-propyl-5-(2,2,2-trifluoroethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 29169799
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26231913
tert-butyl N-methyl-N-[3-[[3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propyl]carbamate
CID 146641317
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255
[5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641229
[(5S)-5-(2-morpholin-4-ylethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 51633070
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45164495
piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45159093
[(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26223478

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 51631234) is [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC(C)(C)N1CCOCC1)C2.
What is the InChIKey of [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is WWOMEIBGUMPWHD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H41N5O2/c1-4-10-29-21-9-8-19(25-18-24(2,3)28-13-15-31-16-14-28)17-20(21)22(26-29)23(30)27-11-6-5-7-12-27/h19,25H,4-18H2,1-3H3/t19-/m0/s1.
What are the key properties of [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 431.63 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 51631234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).