N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C26H26FN9 — CID 174232502

IUPACN-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1nccc(Nc2nc3c(-c4ccc(CN5CCCC5)c(F)c4)c(-c4cn[nH]c4)ncn3n2)c1C
InChIInChI=1S/C26H26FN9/c1-16-17(2)28-8-7-22(16)32-26-33-25-23(24(20-12-30-31-13-20)29-15-36(25)34-26)18-5-6-19(21(27)11-18)14-35-9-3-4-10-35/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3,(H,30,31)(H,28,32,34)
InChIKeyURUMQEQCWHPVFF-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.67
Rot. Bonds6

About N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 174232502) has the molecular formula C26H26FN9 and a molecular weight of 483.56 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID174232502
Molecular FormulaC26H26FN9
Molecular Weight483.56 g/mol
Exact Mass483.23
IUPAC NameN-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1nccc(Nc2nc3c(-c4ccc(CN5CCCC5)c(F)c4)c(-c4cn[nH]c4)ncn3n2)c1C
InChIInChI=1S/C26H26FN9/c1-16-17(2)28-8-7-22(16)32-26-33-25-23(24(20-12-30-31-13-20)29-15-36(25)34-26)18-5-6-19(21(27)11-18)14-35-9-3-4-10-35/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3,(H,30,31)(H,28,32,34)
InChIKeyURUMQEQCWHPVFF-UHFFFAOYSA-N
XLogP4.67
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 174232502) is N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Cc1nccc(Nc2nc3c(-c4ccc(CN5CCCC5)c(F)c4)c(-c4cn[nH]c4)ncn3n2)c1C.
What is the InChIKey of N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is URUMQEQCWHPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN9/c1-16-17(2)28-8-7-22(16)32-26-33-25-23(24(20-12-30-31-13-20)29-15-36(25)34-26)18-5-6-19(21(27)11-18)14-35-9-3-4-10-35/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3,(H,30,31)(H,28,32,34).
What are the key properties of N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 483.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-pyridinyl)-8-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 174232502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).