N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H19F4N7O3 — CID 74763521

IUPACN-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1nnn(C(F)F)n1
InChIInChI=1S/C21H19F4N7O3/c1-11-16(18(34)27-21(2,10-33)19-28-30-32(29-19)20(24)25)31-8-4-7-15(17(31)26-11)35-9-12-13(22)5-3-6-14(12)23/h3-8,20,33H,9-10H2,1-2H3,(H,27,34)/t21-/m0/s1
InChIKeyKZNXCKRCEARXGB-NRFANRHFSA-N
MW493.42 g/mol
LogP2.52
Rot. Bonds8

About N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 74763521) has the molecular formula C21H19F4N7O3 and a molecular weight of 493.42 g/mol. Its IUPAC name is N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID74763521
Molecular FormulaC21H19F4N7O3
Molecular Weight493.42 g/mol
Exact Mass493.15
IUPAC NameN-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1nnn(C(F)F)n1
InChIInChI=1S/C21H19F4N7O3/c1-11-16(18(34)27-21(2,10-33)19-28-30-32(29-19)20(24)25)31-8-4-7-15(17(31)26-11)35-9-12-13(22)5-3-6-14(12)23/h3-8,20,33H,9-10H2,1-2H3,(H,27,34)/t21-/m0/s1
InChIKeyKZNXCKRCEARXGB-NRFANRHFSA-N
XLogP2.52
TPSA119.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 74763521) is N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1nnn(C(F)F)n1.
What is the InChIKey of N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KZNXCKRCEARXGB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19F4N7O3/c1-11-16(18(34)27-21(2,10-33)19-28-30-32(29-19)20(24)25)31-8-4-7-15(17(31)26-11)35-9-12-13(22)5-3-6-14(12)23/h3-8,20,33H,9-10H2,1-2H3,(H,27,34)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 493.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[2-(difluoromethyl)tetrazol-5-yl]-1-hydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 74763521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).