ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

C61H50F2N16 — CID 145034576

IUPACethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
SMILESC=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)nccc5[nH]4)n[nH]c3cc2F)c1)c1ccccc1.CC.Fc1cc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c2cc1-c1cncc(CN2CCCC2)c1
InChIInChI=1S/C31H21FN8.C28H23FN8.C2H6/c1-18(19-7-3-2-4-8-19)36-21-13-20(16-33-17-21)22-14-23-27(15-24(22)32)39-40-28(23)31-37-26-10-12-35-29(30(26)38-31)25-9-5-6-11-34-25;29-21-13-24-20(12-19(21)18-11-17(14-30-15-18)16-37-9-3-4-10-37)25(36-35-24)28-33-23-6-8-32-26(27(23)34-28)22-5-1-2-7-31-22;1-2/h2-17,36H,1H2,(H,37,38)(H,39,40);1-2,5-8,11-15H,3-4,9-10,16H2,(H,33,34)(H,35,36);1-2H3
InChIKeyQKUIVUCLKNHUOH-UHFFFAOYSA-N
MW1045.18 g/mol
LogP13.23
Rot. Bonds11

About ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145034576) has the molecular formula C61H50F2N16 and a molecular weight of 1045.18 g/mol. Its IUPAC name is ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
PubChem CID145034576
Molecular FormulaC61H50F2N16
Molecular Weight1045.18 g/mol
Exact Mass1044.44
IUPAC Nameethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
SMILESC=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)nccc5[nH]4)n[nH]c3cc2F)c1)c1ccccc1.CC.Fc1cc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c2cc1-c1cncc(CN2CCCC2)c1
InChIInChI=1S/C31H21FN8.C28H23FN8.C2H6/c1-18(19-7-3-2-4-8-19)36-21-13-20(16-33-17-21)22-14-23-27(15-24(22)32)39-40-28(23)31-37-26-10-12-35-29(30(26)38-31)25-9-5-6-11-34-25;29-21-13-24-20(12-19(21)18-11-17(14-30-15-18)16-37-9-3-4-10-37)25(36-35-24)28-33-23-6-8-32-26(27(23)34-28)22-5-1-2-7-31-22;1-2/h2-17,36H,1H2,(H,37,38)(H,39,40);1-2,5-8,11-15H,3-4,9-10,16H2,(H,33,34)(H,35,36);1-2H3
InChIKeyQKUIVUCLKNHUOH-UHFFFAOYSA-N
XLogP13.23
TPSA207.33 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.18
LogP ≤ 513.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (CID 145034576) is ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is C=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)nccc5[nH]4)n[nH]c3cc2F)c1)c1ccccc1.CC.Fc1cc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c2cc1-c1cncc(CN2CCCC2)c1.
What is the InChIKey of ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is QKUIVUCLKNHUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN8.C28H23FN8.C2H6/c1-18(19-7-3-2-4-8-19)36-21-13-20(16-33-17-21)22-14-23-27(15-24(22)32)39-40-28(23)31-37-26-10-12-35-29(30(26)38-31)25-9-5-6-11-34-25;29-21-13-24-20(12-19(21)18-11-17(14-30-15-18)16-37-9-3-4-10-37)25(36-35-24)28-33-23-6-8-32-26(27(23)34-28)22-5-1-2-7-31-22;1-2/h2-17,36H,1H2,(H,37,38)(H,39,40);1-2,5-8,11-15H,3-4,9-10,16H2,(H,33,34)(H,35,36);1-2H3.
What are the key properties of ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 1045.18 g/mol, XLogP of 13.23, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).