tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate

C30H35F4N5O4 — CID 171477787

IUPACtert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3cc(NC(=O)c4cccc(C5CC5C(F)(F)F)n4)c(C(C)(C)O)c(F)c3n2)CC1
InChIInChI=1S/C30H35F4N5O4/c1-28(2,3)43-27(41)38-11-9-16(10-12-38)21-14-39-15-22(23(29(4,5)42)24(31)25(39)36-21)37-26(40)20-8-6-7-19(35-20)17-13-18(17)30(32,33)34/h6-8,14-18,42H,9-13H2,1-5H3,(H,37,40)
InChIKeyUOEJNZSLFBIPDF-UHFFFAOYSA-N
MW605.63 g/mol
LogP6.13
Rot. Bonds5

About tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 171477787) has the molecular formula C30H35F4N5O4 and a molecular weight of 605.63 g/mol. Its IUPAC name is tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID171477787
Molecular FormulaC30H35F4N5O4
Molecular Weight605.63 g/mol
Exact Mass605.26
IUPAC Nametert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3cc(NC(=O)c4cccc(C5CC5C(F)(F)F)n4)c(C(C)(C)O)c(F)c3n2)CC1
InChIInChI=1S/C30H35F4N5O4/c1-28(2,3)43-27(41)38-11-9-16(10-12-38)21-14-39-15-22(23(29(4,5)42)24(31)25(39)36-21)37-26(40)20-8-6-7-19(35-20)17-13-18(17)30(32,33)34/h6-8,14-18,42H,9-13H2,1-5H3,(H,37,40)
InChIKeyUOEJNZSLFBIPDF-UHFFFAOYSA-N
XLogP6.13
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.63
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-[8-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
CID 174145802
tert-butyl 4-[4-[(2-pyrrol-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59208582
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-[4-[(pyridine-2-carbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3695799
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl 4-[6-[[(E)-4-(6-methylpyrazin-2-yl)pent-3-en-2-ylidene]amino]-2-pyridinyl]piperidine-1-carboxylate
CID 123374472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate (CID 171477787) is tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cn3cc(NC(=O)c4cccc(C5CC5C(F)(F)F)n4)c(C(C)(C)O)c(F)c3n2)CC1.
What is the InChIKey of tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is UOEJNZSLFBIPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F4N5O4/c1-28(2,3)43-27(41)38-11-9-16(10-12-38)21-14-39-15-22(23(29(4,5)42)24(31)25(39)36-21)37-26(40)20-8-6-7-19(35-20)17-13-18(17)30(32,33)34/h6-8,14-18,42H,9-13H2,1-5H3,(H,37,40).
What are the key properties of tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 605.63 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[8-fluoro-7-(2-hydroxypropan-2-yl)-6-[[6-[2-(trifluoromethyl)cyclopropyl]pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171477787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).