[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C21H31N5O2 — CID 45161185

IUPAC[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCC2)c2c1CCC(N(C)Cc1cc(C)no1)C2
InChIInChI=1S/C21H31N5O2/c1-4-9-26-19-8-7-16(24(3)14-17-12-15(2)23-28-17)13-18(19)20(22-26)21(27)25-10-5-6-11-25/h12,16H,4-11,13-14H2,1-3H3
InChIKeyDUIHBDFNAMFPRY-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.81
Rot. Bonds6

About [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45161185) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID45161185
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCC2)c2c1CCC(N(C)Cc1cc(C)no1)C2
InChIInChI=1S/C21H31N5O2/c1-4-9-26-19-8-7-16(24(3)14-17-12-15(2)23-28-17)13-18(19)20(22-26)21(27)25-10-5-6-11-25/h12,16H,4-11,13-14H2,1-3H3
InChIKeyDUIHBDFNAMFPRY-UHFFFAOYSA-N
XLogP2.81
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45164969
azepan-1-yl-[1-methyl-5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162911
[5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45164346
[1-ethyl-5-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45164597
[5-[butyl(methyl)amino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45164216
azepan-1-yl-[1-ethyl-5-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45164525
(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95228054
(5R)-1-ethyl-5-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95221782
[5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45161493
[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45162163
5-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56716905
(5R)-5-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95202249

Frequently Asked Questions

What is the IUPAC name of [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 45161185) is [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CCCn1nc(C(=O)N2CCCC2)c2c1CCC(N(C)Cc1cc(C)no1)C2.
What is the InChIKey of [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DUIHBDFNAMFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-4-9-26-19-8-7-16(24(3)14-17-12-15(2)23-28-17)13-18(19)20(22-26)21(27)25-10-5-6-11-25/h12,16H,4-11,13-14H2,1-3H3.
What are the key properties of [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 385.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45161185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).