1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide

C19H22F3N5O2 — CID 67068229

IUPAC1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide
SMILESCC(C)c1c(C(N)=O)cn2cc(Cn3cc(C(CCO)C(F)(F)F)nn3)ccc12
InChIInChI=1S/C19H22F3N5O2/c1-11(2)17-13(18(23)29)9-26-7-12(3-4-16(17)26)8-27-10-15(24-25-27)14(5-6-28)19(20,21)22/h3-4,7,9-11,14,28H,5-6,8H2,1-2H3,(H2,23,29)
InChIKeyYHZMDPRUZXHUIL-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.83
Rot. Bonds7

About 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide

1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide (PubChem CID 67068229) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide
PubChem CID67068229
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide
SMILESCC(C)c1c(C(N)=O)cn2cc(Cn3cc(C(CCO)C(F)(F)F)nn3)ccc12
InChIInChI=1S/C19H22F3N5O2/c1-11(2)17-13(18(23)29)9-26-7-12(3-4-16(17)26)8-27-10-15(24-25-27)14(5-6-28)19(20,21)22/h3-4,7,9-11,14,28H,5-6,8H2,1-2H3,(H2,23,29)
InChIKeyYHZMDPRUZXHUIL-UHFFFAOYSA-N
XLogP2.83
TPSA98.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?
The IUPAC name of 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide (CID 67068229) is 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide.
What is the SMILES notation for 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?
The canonical SMILES for 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide is CC(C)c1c(C(N)=O)cn2cc(Cn3cc(C(CCO)C(F)(F)F)nn3)ccc12.
What is the InChIKey of 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?
The InChIKey is YHZMDPRUZXHUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-11(2)17-13(18(23)29)9-26-7-12(3-4-16(17)26)8-27-10-15(24-25-27)14(5-6-28)19(20,21)22/h3-4,7,9-11,14,28H,5-6,8H2,1-2H3,(H2,23,29).
What are the key properties of 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?
1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide is sourced from PubChem (CID 67068229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).