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

C28H23F3N8S — CID 145038723

IUPAC6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine
SMILESCN1CN=C(c2nc3c(-c4ccc(F)s4)nccc3[nH]2)c2cc(-c3cncc(CN4CCC(F)(F)C4)c3)cnc21
InChIInChI=1S/C28H23F3N8S/c1-38-15-35-23(26-36-20-4-6-33-25(24(20)37-26)21-2-3-22(29)40-21)19-9-18(12-34-27(19)38)17-8-16(10-32-11-17)13-39-7-5-28(30,31)14-39/h2-4,6,8-12H,5,7,13-15H2,1H3,(H,36,37)
InChIKeyDCHJBJYPYYQGGW-UHFFFAOYSA-N
MW560.61 g/mol
LogP5.37
Rot. Bonds5

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

6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine (PubChem CID 145038723) has the molecular formula C28H23F3N8S and a molecular weight of 560.61 g/mol. Its IUPAC name is 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine
PubChem CID145038723
Molecular FormulaC28H23F3N8S
Molecular Weight560.61 g/mol
Exact Mass560.17
IUPAC Name6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine
SMILESCN1CN=C(c2nc3c(-c4ccc(F)s4)nccc3[nH]2)c2cc(-c3cncc(CN4CCC(F)(F)C4)c3)cnc21
InChIInChI=1S/C28H23F3N8S/c1-38-15-35-23(26-36-20-4-6-33-25(24(20)37-26)21-2-3-22(29)40-21)19-9-18(12-34-27(19)38)17-8-16(10-32-11-17)13-39-7-5-28(30,31)14-39/h2-4,6,8-12H,5,7,13-15H2,1H3,(H,36,37)
InChIKeyDCHJBJYPYYQGGW-UHFFFAOYSA-N
XLogP5.37
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-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]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine (CID 145038723) is 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine is CN1CN=C(c2nc3c(-c4ccc(F)s4)nccc3[nH]2)c2cc(-c3cncc(CN4CCC(F)(F)C4)c3)cnc21.
What is the InChIKey of 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine?
The InChIKey is DCHJBJYPYYQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N8S/c1-38-15-35-23(26-36-20-4-6-33-25(24(20)37-26)21-2-3-22(29)40-21)19-9-18(12-34-27(19)38)17-8-16(10-32-11-17)13-39-7-5-28(30,31)14-39/h2-4,6,8-12H,5,7,13-15H2,1H3,(H,36,37).
What are the key properties of 6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine?
6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine has a molecular weight of 560.61 g/mol, XLogP of 5.37, 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]-4-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 145038723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).