(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine

C16H16ClFN6 — CID 139356973

IUPAC(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C16H16ClFN6/c17-11-9-24-13(7-21-15(24)6-12(11)18)16-20-4-3-14(22-16)23-5-1-2-10(19)8-23/h3-4,6-7,9-10H,1-2,5,8,19H2/t10-/m0/s1
InChIKeyKIHBQHHXSVWYHO-JTQLQIEISA-N
MW346.80 g/mol
LogP2.51
Rot. Bonds2

About (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine

(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine (PubChem CID 139356973) has the molecular formula C16H16ClFN6 and a molecular weight of 346.80 g/mol. Its IUPAC name is (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine
PubChem CID139356973
Molecular FormulaC16H16ClFN6
Molecular Weight346.80 g/mol
Exact Mass346.11
IUPAC Name(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C16H16ClFN6/c17-11-9-24-13(7-21-15(24)6-12(11)18)16-20-4-3-14(22-16)23-5-1-2-10(19)8-23/h3-4,6-7,9-10H,1-2,5,8,19H2/t10-/m0/s1
InChIKeyKIHBQHHXSVWYHO-JTQLQIEISA-N
XLogP2.51
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine with MolForge

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Related Compounds

Falnidamol
CID 6918508
Cgp74514A
CID 2794188
Bms-279700
CID 9844320
IRAK4 inhibitor rac-45
CID 25169383
3-((5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl)methyl)-1-cyclopropyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
CID 86698151
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[6-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725962
N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
CID 5327151
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine (CID 139356973) is (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine is N[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.
What is the InChIKey of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine?
The InChIKey is KIHBQHHXSVWYHO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16ClFN6/c17-11-9-24-13(7-21-15(24)6-12(11)18)16-20-4-3-14(22-16)23-5-1-2-10(19)8-23/h3-4,6-7,9-10H,1-2,5,8,19H2/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine?
(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine has a molecular weight of 346.80 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 139356973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).