4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine

C19H22F3N7 — CID 162558529

IUPAC4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
SMILESCc1cc(F)cn2c(-c3ncc(N)c(NC4CCN(CC(F)F)CC4)n3)cnc12
InChIInChI=1S/C19H22F3N7/c1-11-6-12(20)9-29-15(8-25-19(11)29)18-24-7-14(23)17(27-18)26-13-2-4-28(5-3-13)10-16(21)22/h6-9,13,16H,2-5,10,23H2,1H3,(H,24,26,27)
InChIKeyCBZSBHSOCWEHBA-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.96
Rot. Bonds5

About 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine

4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine (PubChem CID 162558529) has the molecular formula C19H22F3N7 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
PubChem CID162558529
Molecular FormulaC19H22F3N7
Molecular Weight405.43 g/mol
Exact Mass405.19
IUPAC Name4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
SMILESCc1cc(F)cn2c(-c3ncc(N)c(NC4CCN(CC(F)F)CC4)n3)cnc12
InChIInChI=1S/C19H22F3N7/c1-11-6-12(20)9-29-15(8-25-19(11)29)18-24-7-14(23)17(27-18)26-13-2-4-28(5-3-13)10-16(21)22/h6-9,13,16H,2-5,10,23H2,1H3,(H,24,26,27)
InChIKeyCBZSBHSOCWEHBA-UHFFFAOYSA-N
XLogP2.96
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine (CID 162558529) is 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine is Cc1cc(F)cn2c(-c3ncc(N)c(NC4CCN(CC(F)F)CC4)n3)cnc12.
What is the InChIKey of 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
The InChIKey is CBZSBHSOCWEHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7/c1-11-6-12(20)9-29-15(8-25-19(11)29)18-24-7-14(23)17(27-18)26-13-2-4-28(5-3-13)10-16(21)22/h6-9,13,16H,2-5,10,23H2,1H3,(H,24,26,27).
What are the key properties of 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine?
4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine has a molecular weight of 405.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 162558529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).