3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile

C24H24F2N8 — CID 118620048

IUPAC3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2ccnc(Nc3ccc(CN4CCC(F)C4)nc3)n2)ccc1N1CCC(F)C1
InChIInChI=1S/C24H24F2N8/c25-16-6-9-33(13-16)15-19-2-1-18(12-29-19)30-24-28-8-5-21(32-24)20-3-4-23(22(11-27)31-20)34-10-7-17(26)14-34/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,28,30,32)
InChIKeyVHYKNUFKIKCHRK-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.64
Rot. Bonds6

About 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile

3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile (PubChem CID 118620048) has the molecular formula C24H24F2N8 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile
PubChem CID118620048
Molecular FormulaC24H24F2N8
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2ccnc(Nc3ccc(CN4CCC(F)C4)nc3)n2)ccc1N1CCC(F)C1
InChIInChI=1S/C24H24F2N8/c25-16-6-9-33(13-16)15-19-2-1-18(12-29-19)30-24-28-8-5-21(32-24)20-3-4-23(22(11-27)31-20)34-10-7-17(26)14-34/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,28,30,32)
InChIKeyVHYKNUFKIKCHRK-UHFFFAOYSA-N
XLogP3.64
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile (CID 118620048) is 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile is N#Cc1nc(-c2ccnc(Nc3ccc(CN4CCC(F)C4)nc3)n2)ccc1N1CCC(F)C1.
What is the InChIKey of 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
The InChIKey is VHYKNUFKIKCHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N8/c25-16-6-9-33(13-16)15-19-2-1-18(12-29-19)30-24-28-8-5-21(32-24)20-3-4-23(22(11-27)31-20)34-10-7-17(26)14-34/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,28,30,32).
What are the key properties of 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile?
3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile has a molecular weight of 462.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyrrolidin-1-yl)-6-[2-[[6-[(3-fluoropyrrolidin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118620048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).