4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine

C25H21N5O — CID 134808758

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESC1=C(c2nc(-c3cccc4[nH]ncc34)cc3c2ccn3Cc2cccnc2)CCOC1
InChIInChI=1S/C25H21N5O/c1-4-19(21-15-27-29-22(21)5-1)23-13-24-20(25(28-23)18-7-11-31-12-8-18)6-10-30(24)16-17-3-2-9-26-14-17/h1-7,9-10,13-15H,8,11-12,16H2,(H,27,29)
InChIKeyPQOOILABADFKDG-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.83
Rot. Bonds4

About 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine

4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine (PubChem CID 134808758) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine
PubChem CID134808758
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESC1=C(c2nc(-c3cccc4[nH]ncc34)cc3c2ccn3Cc2cccnc2)CCOC1
InChIInChI=1S/C25H21N5O/c1-4-19(21-15-27-29-22(21)5-1)23-13-24-20(25(28-23)18-7-11-31-12-8-18)6-10-30(24)16-17-3-2-9-26-14-17/h1-7,9-10,13-15H,8,11-12,16H2,(H,27,29)
InChIKeyPQOOILABADFKDG-UHFFFAOYSA-N
XLogP4.83
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine (CID 134808758) is 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine is C1=C(c2nc(-c3cccc4[nH]ncc34)cc3c2ccn3Cc2cccnc2)CCOC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is PQOOILABADFKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-4-19(21-15-27-29-22(21)5-1)23-13-24-20(25(28-23)18-7-11-31-12-8-18)6-10-30(24)16-17-3-2-9-26-14-17/h1-7,9-10,13-15H,8,11-12,16H2,(H,27,29).
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine?
4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 407.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 134808758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).