2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine

C31H27F3N6S — CID 123599698

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine
SMILESCCC1Cc2c(cncc2-c2ccc(F)s2)N=C1c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12
InChIInChI=1S/C31H27F3N6S/c1-2-19-10-22-24(27-5-6-28(32)41-27)14-36-15-26(22)37-29(19)30-23-11-20(3-4-25(23)38-39-30)21-9-18(12-35-13-21)16-40-8-7-31(33,34)17-40/h3-6,9,11-15,19H,2,7-8,10,16-17H2,1H3,(H,38,39)
InChIKeyYMLRXOPMCWPMMG-UHFFFAOYSA-N
MW572.66 g/mol
LogP7.43
Rot. Bonds6

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine (PubChem CID 123599698) has the molecular formula C31H27F3N6S and a molecular weight of 572.66 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine
PubChem CID123599698
Molecular FormulaC31H27F3N6S
Molecular Weight572.66 g/mol
Exact Mass572.20
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine
SMILESCCC1Cc2c(cncc2-c2ccc(F)s2)N=C1c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12
InChIInChI=1S/C31H27F3N6S/c1-2-19-10-22-24(27-5-6-28(32)41-27)14-36-15-26(22)37-29(19)30-23-11-20(3-4-25(23)38-39-30)21-9-18(12-35-13-21)16-40-8-7-31(33,34)17-40/h3-6,9,11-15,19H,2,7-8,10,16-17H2,1H3,(H,38,39)
InChIKeyYMLRXOPMCWPMMG-UHFFFAOYSA-N
XLogP7.43
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
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
3-[1-[2-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidin-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 44534364
US10660877, Example 682
CID 134330069
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136643073
US9624228, Example 321
CID 136952448
2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 137019247
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137019316

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine (CID 123599698) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine is CCC1Cc2c(cncc2-c2ccc(F)s2)N=C1c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine?
The InChIKey is YMLRXOPMCWPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F3N6S/c1-2-19-10-22-24(27-5-6-28(32)41-27)14-36-15-26(22)37-29(19)30-23-11-20(3-4-25(23)38-39-30)21-9-18(12-35-13-21)16-40-8-7-31(33,34)17-40/h3-6,9,11-15,19H,2,7-8,10,16-17H2,1H3,(H,38,39).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine has a molecular weight of 572.66 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 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]-1H-indazol-3-yl]-3-ethyl-5-(5-fluorothiophen-2-yl)-3,4-dihydro-1,7-naphthyridine is sourced from PubChem (CID 123599698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).