3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine

C19H19N5 — CID 171446115

IUPAC3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine
SMILESc1ccn2c(C3CCCN(c4ccnc5[nH]ccc45)C3)cnc2c1
InChIInChI=1S/C19H19N5/c1-2-11-24-17(12-22-18(24)5-1)14-4-3-10-23(13-14)16-7-9-21-19-15(16)6-8-20-19/h1-2,5-9,11-12,14H,3-4,10,13H2,(H,20,21)
InChIKeySVQDENVKMGONDL-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.59
Rot. Bonds2

About 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine

3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine (PubChem CID 171446115) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine
PubChem CID171446115
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine
SMILESc1ccn2c(C3CCCN(c4ccnc5[nH]ccc45)C3)cnc2c1
InChIInChI=1S/C19H19N5/c1-2-11-24-17(12-22-18(24)5-1)14-4-3-10-23(13-14)16-7-9-21-19-15(16)6-8-20-19/h1-2,5-9,11-12,14H,3-4,10,13H2,(H,20,21)
InChIKeySVQDENVKMGONDL-UHFFFAOYSA-N
XLogP3.59
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine (CID 171446115) is 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine is c1ccn2c(C3CCCN(c4ccnc5[nH]ccc45)C3)cnc2c1.
What is the InChIKey of 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is SVQDENVKMGONDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-2-11-24-17(12-22-18(24)5-1)14-4-3-10-23(13-14)16-7-9-21-19-15(16)6-8-20-19/h1-2,5-9,11-12,14H,3-4,10,13H2,(H,20,21).
What are the key properties of 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine?
3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 317.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 171446115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).