N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C15H21N5O — CID 138379687

IUPACN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@H]3CCCN4CCC[C@@H]34)c12
InChIInChI=1S/C15H21N5O/c1-18-8-9-20-15(18)11(10-16-20)14(21)17-12-4-2-6-19-7-3-5-13(12)19/h8-10,12-13H,2-7H2,1H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyPVHQUTDQIVPSGK-STQMWFEESA-N
MW287.37 g/mol
LogP1.03
Rot. Bonds2

About N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 138379687) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID138379687
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N[C@H]3CCCN4CCC[C@@H]34)c12
InChIInChI=1S/C15H21N5O/c1-18-8-9-20-15(18)11(10-16-20)14(21)17-12-4-2-6-19-7-3-5-13(12)19/h8-10,12-13H,2-7H2,1H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyPVHQUTDQIVPSGK-STQMWFEESA-N
XLogP1.03
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide with MolForge

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Related Compounds

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US10329294, Example 3
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[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
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(6R,13R)-13-methyl-2,8,9,10,14,18,19,22-octazapentacyclo[14.5.2.17,10.02,6.019,23]tetracosa-1(22),7(24),8,16(23),17,20-hexaen-15-one
CID 146686540
(6S,13R)-13-methyl-2,8,9,10,14,18,19,22-octazapentacyclo[14.5.2.17,10.02,6.019,23]tetracosa-1(22),7(24),8,16(23),17,20-hexaen-15-one
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({3-[(1S*,6R*)-3,9-diazabicyclo[4.2.1]non-3-ylcarbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)diethylamine
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N-ethyl-N-({3-[(3aS*,6aS*)-hexahydropyrrolo[3,4-b]pyrrol-1(2H)-ylcarbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)ethanamine
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CID 56719808

Frequently Asked Questions

What is the IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 138379687) is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)N[C@H]3CCCN4CCC[C@@H]34)c12.
What is the InChIKey of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is PVHQUTDQIVPSGK-STQMWFEESA-N. The full InChI is InChI=1S/C15H21N5O/c1-18-8-9-20-15(18)11(10-16-20)14(21)17-12-4-2-6-19-7-3-5-13(12)19/h8-10,12-13H,2-7H2,1H3,(H,17,21)/t12-,13-/m0/s1.
What are the key properties of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 138379687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).