N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide

C18H20N4O2 — CID 129355829

IUPACN-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc2ccccn2c1
InChIInChI=1S/C18H20N4O2/c23-18(14-9-16-5-1-3-7-21(16)11-14)20-15-10-19-22(12-15)13-17-6-2-4-8-24-17/h1,3,5,7,9-12,17H,2,4,6,8,13H2,(H,20,23)/t17-/m0/s1
InChIKeyQHJPRPCJILJPEP-KRWDZBQOSA-N
MW324.38 g/mol
LogP2.96
Rot. Bonds4

About N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide

N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide (PubChem CID 129355829) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
PubChem CID129355829
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc2ccccn2c1
InChIInChI=1S/C18H20N4O2/c23-18(14-9-16-5-1-3-7-21(16)11-14)20-15-10-19-22(12-15)13-17-6-2-4-8-24-17/h1,3,5,7,9-12,17H,2,4,6,8,13H2,(H,20,23)/t17-/m0/s1
InChIKeyQHJPRPCJILJPEP-KRWDZBQOSA-N
XLogP2.96
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide?
The IUPAC name of N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide (CID 129355829) is N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide.
What is the SMILES notation for N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide?
The canonical SMILES for N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide is O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc2ccccn2c1.
What is the InChIKey of N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide?
The InChIKey is QHJPRPCJILJPEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(14-9-16-5-1-3-7-21(16)11-14)20-15-10-19-22(12-15)13-17-6-2-4-8-24-17/h1,3,5,7,9-12,17H,2,4,6,8,13H2,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide?
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide is sourced from PubChem (CID 129355829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).