3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C25H22ClFN8 — CID 58179577

IUPAC3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccnc2n1-c1cccc(Cl)c1F
InChIInChI=1S/C25H22ClFN8/c26-19-3-1-5-21(22(19)27)35-24(33-20-4-2-8-30-25(20)35)18-11-15(12-31-23(18)28)16-13-32-34(14-16)17-6-9-29-10-7-17/h1-5,8,11-14,17,29H,6-7,9-10H2,(H2,28,31)
InChIKeyDSGZIHWKRSZKTG-UHFFFAOYSA-N
MW488.96 g/mol
LogP4.65
Rot. Bonds4

About 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 58179577) has the molecular formula C25H22ClFN8 and a molecular weight of 488.96 g/mol. Its IUPAC name is 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID58179577
Molecular FormulaC25H22ClFN8
Molecular Weight488.96 g/mol
Exact Mass488.16
IUPAC Name3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccnc2n1-c1cccc(Cl)c1F
InChIInChI=1S/C25H22ClFN8/c26-19-3-1-5-21(22(19)27)35-24(33-20-4-2-8-30-25(20)35)18-11-15(12-31-23(18)28)16-13-32-34(14-16)17-6-9-29-10-7-17/h1-5,8,11-14,17,29H,6-7,9-10H2,(H2,28,31)
InChIKeyDSGZIHWKRSZKTG-UHFFFAOYSA-N
XLogP4.65
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 58179577) is 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccnc2n1-c1cccc(Cl)c1F.
What is the InChIKey of 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is DSGZIHWKRSZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN8/c26-19-3-1-5-21(22(19)27)35-24(33-20-4-2-8-30-25(20)35)18-11-15(12-31-23(18)28)16-13-32-34(14-16)17-6-9-29-10-7-17/h1-5,8,11-14,17,29H,6-7,9-10H2,(H2,28,31).
What are the key properties of 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 488.96 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 58179577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).