4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

C26H21FN8S — CID 136946973

IUPAC4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c12
InChIInChI=1S/C26H21FN8S/c27-22-21-19(12-30-23(22)17-7-15(8-28-9-17)13-35-4-1-2-5-35)33-34-25(21)26-31-20-11-29-10-18(24(20)32-26)16-3-6-36-14-16/h3,6-12,14H,1-2,4-5,13H2,(H,31,32)(H,33,34)
InChIKeyGKLLWHPAYHZJKS-UHFFFAOYSA-N
MW496.58 g/mol
LogP5.42
Rot. Bonds5

About 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136946973) has the molecular formula C26H21FN8S and a molecular weight of 496.58 g/mol. Its IUPAC name is 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136946973
Molecular FormulaC26H21FN8S
Molecular Weight496.58 g/mol
Exact Mass496.16
IUPAC Name4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c12
InChIInChI=1S/C26H21FN8S/c27-22-21-19(12-30-23(22)17-7-15(8-28-9-17)13-35-4-1-2-5-35)33-34-25(21)26-31-20-11-29-10-18(24(20)32-26)16-3-6-36-14-16/h3,6-12,14H,1-2,4-5,13H2,(H,31,32)(H,33,34)
InChIKeyGKLLWHPAYHZJKS-UHFFFAOYSA-N
XLogP5.42
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 136946973) is 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is Fc1c(-c2cncc(CN3CCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c12.
What is the InChIKey of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is GKLLWHPAYHZJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8S/c27-22-21-19(12-30-23(22)17-7-15(8-28-9-17)13-35-4-1-2-5-35)33-34-25(21)26-31-20-11-29-10-18(24(20)32-26)16-3-6-36-14-16/h3,6-12,14H,1-2,4-5,13H2,(H,31,32)(H,33,34).
What are the key properties of 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 496.58 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136946973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).