2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C30H29FN10S — CID 163239579

IUPAC2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(N4CC(NC5CNC5)C4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C30H29FN10S/c1-3-24-28(39(2)30-38-27(25(10-32)42-30)18-4-7-21(31)8-5-18)41-15-19(6-9-26(41)37-24)20-11-34-29(35-12-20)40-16-23(17-40)36-22-13-33-14-22/h4-9,11-12,15,22-23,33,36H,3,13-14,16-17H2,1-2H3
InChIKeyLEUWHJHXSZGTIV-UHFFFAOYSA-N
MW580.70 g/mol
LogP4.01
Rot. Bonds8

About 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 163239579) has the molecular formula C30H29FN10S and a molecular weight of 580.70 g/mol. Its IUPAC name is 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163239579
Molecular FormulaC30H29FN10S
Molecular Weight580.70 g/mol
Exact Mass580.23
IUPAC Name2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(N4CC(NC5CNC5)C4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C30H29FN10S/c1-3-24-28(39(2)30-38-27(25(10-32)42-30)18-4-7-21(31)8-5-18)41-15-19(6-9-26(41)37-24)20-11-34-29(35-12-20)40-16-23(17-40)36-22-13-33-14-22/h4-9,11-12,15,22-23,33,36H,3,13-14,16-17H2,1-2H3
InChIKeyLEUWHJHXSZGTIV-UHFFFAOYSA-N
XLogP4.01
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 163239579) is 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3cnc(N4CC(NC5CNC5)C4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is LEUWHJHXSZGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN10S/c1-3-24-28(39(2)30-38-27(25(10-32)42-30)18-4-7-21(31)8-5-18)41-15-19(6-9-26(41)37-24)20-11-34-29(35-12-20)40-16-23(17-40)36-22-13-33-14-22/h4-9,11-12,15,22-23,33,36H,3,13-14,16-17H2,1-2H3.
What are the key properties of 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 580.70 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 163239579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).