2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine

C29H23F2N7 — CID 137116092

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccnc7)cncc6[nH]5)c4c3)c2)C1
InChIInChI=1S/C29H23F2N7/c30-29(31)5-7-38(17-29)16-18-8-21(13-33-11-18)19-3-4-25-23(9-19)28(37-36-25)26-10-22-24(14-34-15-27(22)35-26)20-2-1-6-32-12-20/h1-4,6,8-15,35H,5,7,16-17H2,(H,36,37)
InChIKeyZQMAZENIMNMSNK-UHFFFAOYSA-N
MW507.55 g/mol
LogP6.07
Rot. Bonds5

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137116092) has the molecular formula C29H23F2N7 and a molecular weight of 507.55 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID137116092
Molecular FormulaC29H23F2N7
Molecular Weight507.55 g/mol
Exact Mass507.20
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccnc7)cncc6[nH]5)c4c3)c2)C1
InChIInChI=1S/C29H23F2N7/c30-29(31)5-7-38(17-29)16-18-8-21(13-33-11-18)19-3-4-25-23(9-19)28(37-36-25)26-10-22-24(14-34-15-27(22)35-26)20-2-1-6-32-12-20/h1-4,6,8-15,35H,5,7,16-17H2,(H,36,37)
InChIKeyZQMAZENIMNMSNK-UHFFFAOYSA-N
XLogP6.07
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine (CID 137116092) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine is FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccnc7)cncc6[nH]5)c4c3)c2)C1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is ZQMAZENIMNMSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N7/c30-29(31)5-7-38(17-29)16-18-8-21(13-33-11-18)19-3-4-25-23(9-19)28(37-36-25)26-10-22-24(14-34-15-27(22)35-26)20-2-1-6-32-12-20/h1-4,6,8-15,35H,5,7,16-17H2,(H,36,37).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 507.55 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137116092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).