6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine

C29H25F3N8S — CID 145039046

IUPAC6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine
SMILESCc1ccc(-c2nccc3[nH]c(C4=NCN(C)c5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)c(F)c54)nc23)s1
InChIInChI=1S/C29H25F3N8S/c1-16-3-4-21(41-16)25-24-20(5-7-34-25)37-27(38-24)26-22-23(30)19(12-35-28(22)39(2)15-36-26)18-9-17(10-33-11-18)13-40-8-6-29(31,32)14-40/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,37,38)
InChIKeyZEOYOCPUTSKZHN-UHFFFAOYSA-N
MW574.64 g/mol
LogP5.68
Rot. Bonds5

About 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine

6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine (PubChem CID 145039046) has the molecular formula C29H25F3N8S and a molecular weight of 574.64 g/mol. Its IUPAC name is 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine
PubChem CID145039046
Molecular FormulaC29H25F3N8S
Molecular Weight574.64 g/mol
Exact Mass574.19
IUPAC Name6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine
SMILESCc1ccc(-c2nccc3[nH]c(C4=NCN(C)c5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)c(F)c54)nc23)s1
InChIInChI=1S/C29H25F3N8S/c1-16-3-4-21(41-16)25-24-20(5-7-34-25)37-27(38-24)26-22-23(30)19(12-35-28(22)39(2)15-36-26)18-9-17(10-33-11-18)13-40-8-6-29(31,32)14-40/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,37,38)
InChIKeyZEOYOCPUTSKZHN-UHFFFAOYSA-N
XLogP5.68
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
6-Benzo[b]thiophen-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10738836
4-thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11498144
4-benzo[b]thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11656831
2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 21362604
5-[12-[4-(Piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole
CID 44546426
N-(4-(3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46843255
12-Thiophen-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266657
N2-(4-Aminocyclohexyl)-9-cyclopentyl-N6-((6-(thiophen-2-yl)pyridin-3-yl)methyl)-9H-purine-2,6-diamine
CID 71817796

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine (CID 145039046) is 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine is Cc1ccc(-c2nccc3[nH]c(C4=NCN(C)c5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)c(F)c54)nc23)s1.
What is the InChIKey of 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine?
The InChIKey is ZEOYOCPUTSKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N8S/c1-16-3-4-21(41-16)25-24-20(5-7-34-25)37-27(38-24)26-22-23(30)19(12-35-28(22)39(2)15-36-26)18-9-17(10-33-11-18)13-40-8-6-29(31,32)14-40/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,37,38).
What are the key properties of 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine?
6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine has a molecular weight of 574.64 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-5-fluoro-1-methyl-4-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 145039046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).