2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

C20H22FN7O2 — CID 177108703

IUPAC2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2C[C@@H]3C[C@H]2CN3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C20H22FN7O2/c1-3-30-19-15(7-23-20(26-19)28-10-12-4-14(28)6-22-12)18(29)25-13-5-16(21)17-24-11(2)8-27(17)9-13/h5,7-9,12,14,22H,3-4,6,10H2,1-2H3,(H,25,29)/t12-,14-/m0/s1
InChIKeySCCZCERYGMLHSY-JSGCOSHPSA-N
MW411.44 g/mol
LogP1.77
Rot. Bonds5

About 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (PubChem CID 177108703) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
PubChem CID177108703
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC Name2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2C[C@@H]3C[C@H]2CN3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C20H22FN7O2/c1-3-30-19-15(7-23-20(26-19)28-10-12-4-14(28)6-22-12)18(29)25-13-5-16(21)17-24-11(2)8-27(17)9-13/h5,7-9,12,14,22H,3-4,6,10H2,1-2H3,(H,25,29)/t12-,14-/m0/s1
InChIKeySCCZCERYGMLHSY-JSGCOSHPSA-N
XLogP1.77
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 166508014
US10174049, Example 14
CID 74763293
US20240116922, Comparator 2A
CID 155443959
(R)-ethyl 4-(1-(2-cyanoacetyl)piperidin-3-ylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 53260797
3-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 53260937
3-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67255764
3-[3-[[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67255765
3-[[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 67255773
3-[[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 67255887
3-[3-[[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67256576
3-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67256655
3-[3-[[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67256656

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (CID 177108703) is 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is CCOc1nc(N2C[C@@H]3C[C@H]2CN3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The InChIKey is SCCZCERYGMLHSY-JSGCOSHPSA-N. The full InChI is InChI=1S/C20H22FN7O2/c1-3-30-19-15(7-23-20(26-19)28-10-12-4-14(28)6-22-12)18(29)25-13-5-16(21)17-24-11(2)8-27(17)9-13/h5,7-9,12,14,22H,3-4,6,10H2,1-2H3,(H,25,29)/t12-,14-/m0/s1.
What are the key properties of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 177108703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).