2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

C28H23F2N7S — CID 145037295

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
SMILESCc1cc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c2cc1-c1cncc(CN2CCC(F)(F)C2)c1
InChIInChI=1S/C28H23F2N7S/c1-16-6-23-21(8-20(16)19-7-17(9-31-10-19)13-37-4-3-28(29,30)15-37)26(36-35-23)27-33-24-12-32-11-22(25(24)34-27)18-2-5-38-14-18/h2,5-12,14H,3-4,13,15H2,1H3,(H,33,34)(H,35,36)
InChIKeyQVGOSQOUVQKSSI-UHFFFAOYSA-N
MW527.60 g/mol
LogP6.44
Rot. Bonds5

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 145037295) has the molecular formula C28H23F2N7S and a molecular weight of 527.60 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
PubChem CID145037295
Molecular FormulaC28H23F2N7S
Molecular Weight527.60 g/mol
Exact Mass527.17
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
SMILESCc1cc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c2cc1-c1cncc(CN2CCC(F)(F)C2)c1
InChIInChI=1S/C28H23F2N7S/c1-16-6-23-21(8-20(16)19-7-17(9-31-10-19)13-37-4-3-28(29,30)15-37)26(36-35-23)27-33-24-12-32-11-22(25(24)34-27)18-2-5-38-14-18/h2,5-12,14H,3-4,13,15H2,1H3,(H,33,34)(H,35,36)
InChIKeyQVGOSQOUVQKSSI-UHFFFAOYSA-N
XLogP6.44
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.60
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

1-((1H-pyrazol-4-yl)methyl)-4-methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
CID 91667931
4-thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11498144
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224701
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-isopropyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46226038
4-methyl-1-(2H-triazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 117636529
4-methyl-1-(1H-pyrazol-5-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 117636540
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136643054

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (CID 145037295) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is Cc1cc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c2cc1-c1cncc(CN2CCC(F)(F)C2)c1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is QVGOSQOUVQKSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N7S/c1-16-6-23-21(8-20(16)19-7-17(9-31-10-19)13-37-4-3-28(29,30)15-37)26(36-35-23)27-33-24-12-32-11-22(25(24)34-27)18-2-5-38-14-18/h2,5-12,14H,3-4,13,15H2,1H3,(H,33,34)(H,35,36).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 527.60 g/mol, XLogP of 6.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145037295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).