tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate

C20H21FN4O3 — CID 162759363

IUPACtert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C20H21FN4O3/c1-20(2,3)28-19(27)24-8-4-5-14(24)11-6-7-15-23-18(22)16(25(15)10-11)17(26)12-9-13(12)21/h4-8,10,12-13H,9,22H2,1-3H3/t12-,13+/m1/s1
InChIKeyJTVPVVRGOMSHOO-OLZOCXBDSA-N
MW384.41 g/mol
LogP3.71
Rot. Bonds3

About tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate

tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate (PubChem CID 162759363) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate
PubChem CID162759363
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Nametert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C20H21FN4O3/c1-20(2,3)28-19(27)24-8-4-5-14(24)11-6-7-15-23-18(22)16(25(15)10-11)17(26)12-9-13(12)21/h4-8,10,12-13H,9,22H2,1-3H3/t12-,13+/m1/s1
InChIKeyJTVPVVRGOMSHOO-OLZOCXBDSA-N
XLogP3.71
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate
CID 162759494
[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 164709553
[2-amino-6-(1H-indol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2-fluorocyclopropyl)methanone
CID 162759360
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 149302059
fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 162759458
tert-butyl 2-(3-aminophenyl)pyrrole-1-carboxylate
CID 22461192
tert-butyl 2-[3-amino-5-(trifluoromethyl)phenyl]pyrrole-1-carboxylate
CID 58902477
tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate
CID 15851800
tert-butyl 2-[2-[3-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]pyrrole-1-carboxylate
CID 57405833
tert-butyl 2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pyrrole-1-carboxylate
CID 22027825
tert-butyl 2-thiophen-2-ylpyrrole-1-carboxylate
CID 15851801
tert-butyl 2-(3-hydroxycyclopentyl)pyrrole-1-carboxylate
CID 167206401

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate (CID 162759363) is tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate is CC(C)(C)OC(=O)n1cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1.
What is the InChIKey of tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate?
The InChIKey is JTVPVVRGOMSHOO-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-20(2,3)28-19(27)24-8-4-5-14(24)11-6-7-15-23-18(22)16(25(15)10-11)17(26)12-9-13(12)21/h4-8,10,12-13H,9,22H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate?
tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate is sourced from PubChem (CID 162759363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).