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

C32H30F2N6S — CID 123736511

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine
SMILESCCC1Cc2c(cncc2-c2ccc(C)s2)N=C1c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12
InChIInChI=1S/C32H30F2N6S/c1-3-21-11-24-26(29-7-4-19(2)41-29)15-36-16-28(24)37-30(21)31-25-12-22(5-6-27(25)38-39-31)23-10-20(13-35-14-23)17-40-9-8-32(33,34)18-40/h4-7,10,12-16,21H,3,8-9,11,17-18H2,1-2H3,(H,38,39)
InChIKeyOMTNHQUFEIRJDW-UHFFFAOYSA-N
MW568.70 g/mol
LogP7.60
Rot. Bonds6

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-methylthiophen-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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine (PubChem CID 123736511) has the molecular formula C32H30F2N6S and a molecular weight of 568.70 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-methylthiophen-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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine
PubChem CID123736511
Molecular FormulaC32H30F2N6S
Molecular Weight568.70 g/mol
Exact Mass568.22
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine
SMILESCCC1Cc2c(cncc2-c2ccc(C)s2)N=C1c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12
InChIInChI=1S/C32H30F2N6S/c1-3-21-11-24-26(29-7-4-19(2)41-29)15-36-16-28(24)37-30(21)31-25-12-22(5-6-27(25)38-39-31)23-10-20(13-35-14-23)17-40-9-8-32(33,34)18-40/h4-7,10,12-16,21H,3,8-9,11,17-18H2,1-2H3,(H,38,39)
InChIKeyOMTNHQUFEIRJDW-UHFFFAOYSA-N
XLogP7.60
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.70
LogP ≤ 57.60
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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine with MolForge

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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-methylthiophen-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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine (CID 123736511) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3-ethyl-5-(5-methylthiophen-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-methylthiophen-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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine is CCC1Cc2c(cncc2-c2ccc(C)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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine?
The InChIKey is OMTNHQUFEIRJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N6S/c1-3-21-11-24-26(29-7-4-19(2)41-29)15-36-16-28(24)37-30(21)31-25-12-22(5-6-27(25)38-39-31)23-10-20(13-35-14-23)17-40-9-8-32(33,34)18-40/h4-7,10,12-16,21H,3,8-9,11,17-18H2,1-2H3,(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-methylthiophen-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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine has a molecular weight of 568.70 g/mol, XLogP of 7.60, 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-methylthiophen-2-yl)-3,4-dihydro-1,7-naphthyridine is sourced from PubChem (CID 123736511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).