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

C16H16ClFN6 — CID 141298973

IUPAC6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESFc1ccc2ncc(-c3nc(Cl)cc(N[C@@H]4CCCNC4)n3)n2c1
InChIInChI=1S/C16H16ClFN6/c17-13-6-14(21-11-2-1-5-19-7-11)23-16(22-13)12-8-20-15-4-3-10(18)9-24(12)15/h3-4,6,8-9,11,19H,1-2,5,7H2,(H,21,22,23)/t11-/m1/s1
InChIKeyCSFRLWSKHQNUFD-LLVKDONJSA-N
MW346.80 g/mol
LogP2.75
Rot. Bonds3

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

6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 141298973) has the molecular formula C16H16ClFN6 and a molecular weight of 346.80 g/mol. Its IUPAC name is 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID141298973
Molecular FormulaC16H16ClFN6
Molecular Weight346.80 g/mol
Exact Mass346.11
IUPAC Name6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESFc1ccc2ncc(-c3nc(Cl)cc(N[C@@H]4CCCNC4)n3)n2c1
InChIInChI=1S/C16H16ClFN6/c17-13-6-14(21-11-2-1-5-19-7-11)23-16(22-13)12-8-20-15-4-3-10(18)9-24(12)15/h3-4,6,8-9,11,19H,1-2,5,7H2,(H,21,22,23)/t11-/m1/s1
InChIKeyCSFRLWSKHQNUFD-LLVKDONJSA-N
XLogP2.75
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 141298973) is 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is Fc1ccc2ncc(-c3nc(Cl)cc(N[C@@H]4CCCNC4)n3)n2c1.
What is the InChIKey of 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is CSFRLWSKHQNUFD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClFN6/c17-13-6-14(21-11-2-1-5-19-7-11)23-16(22-13)12-8-20-15-4-3-10(18)9-24(12)15/h3-4,6,8-9,11,19H,1-2,5,7H2,(H,21,22,23)/t11-/m1/s1.
What are the key properties of 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 346.80 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 141298973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).