3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C18H15N5 — CID 11616416

IUPAC3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2nn3c(c2-c2c[nH]c4ncccc24)CCC3)nc1
InChIInChI=1S/C18H15N5/c1-2-8-19-14(6-1)17-16(15-7-4-10-23(15)22-17)13-11-21-18-12(13)5-3-9-20-18/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21)
InChIKeyVRHIIDKZKKRZOU-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.43
Rot. Bonds2

About 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine

3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11616416) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID11616416
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2nn3c(c2-c2c[nH]c4ncccc24)CCC3)nc1
InChIInChI=1S/C18H15N5/c1-2-8-19-14(6-1)17-16(15-7-4-10-23(15)22-17)13-11-21-18-12(13)5-3-9-20-18/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21)
InChIKeyVRHIIDKZKKRZOU-UHFFFAOYSA-N
XLogP3.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 11616416) is 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2nn3c(c2-c2c[nH]c4ncccc24)CCC3)nc1.
What is the InChIKey of 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VRHIIDKZKKRZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-2-8-19-14(6-1)17-16(15-7-4-10-23(15)22-17)13-11-21-18-12(13)5-3-9-20-18/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21).
What are the key properties of 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 301.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11616416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).