2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile

C19H12F3N7 — CID 56848632

IUPAC2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3cc(C#N)ccc23)n[nH]1
InChIInChI=1S/C19H12F3N7/c1-10-6-16(29-28-10)26-17-13-4-2-11(8-23)7-14(13)25-18(27-17)19(21,22)15-5-3-12(20)9-24-15/h2-7,9H,1H3,(H2,25,26,27,28,29)
InChIKeyAKQURCCBNQDETN-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.95
Rot. Bonds4

About 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile

2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile (PubChem CID 56848632) has the molecular formula C19H12F3N7 and a molecular weight of 395.35 g/mol. Its IUPAC name is 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile.

Molecular Properties

Compound Name2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile
PubChem CID56848632
Molecular FormulaC19H12F3N7
Molecular Weight395.35 g/mol
Exact Mass395.11
IUPAC Name2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3cc(C#N)ccc23)n[nH]1
InChIInChI=1S/C19H12F3N7/c1-10-6-16(29-28-10)26-17-13-4-2-11(8-23)7-14(13)25-18(27-17)19(21,22)15-5-3-12(20)9-24-15/h2-7,9H,1H3,(H2,25,26,27,28,29)
InChIKeyAKQURCCBNQDETN-UHFFFAOYSA-N
XLogP3.95
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 56928852
8-cyclopropyl-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 56848870
2-[difluoro-(4-fluorophenyl)methyl]-7-(ethoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 46893127
3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614046
(3S)-3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614048
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(trifluoromethyl)quinazolin-2-yl]methanol
CID 46892495
5-[difluoro-(4-fluorophenyl)methyl]-2-N-methyl-7-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 56941545
7-bromo-2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-methylsulfanylquinazoline
CID 66609624
3-[7-[[7-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-3-yl]propanenitrile
CID 146645717
2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 146644992
7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10155985
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile?
The IUPAC name of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile (CID 56848632) is 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile.
What is the SMILES notation for 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile?
The canonical SMILES for 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3cc(C#N)ccc23)n[nH]1.
What is the InChIKey of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile?
The InChIKey is AKQURCCBNQDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N7/c1-10-6-16(29-28-10)26-17-13-4-2-11(8-23)7-14(13)25-18(27-17)19(21,22)15-5-3-12(20)9-24-15/h2-7,9H,1H3,(H2,25,26,27,28,29).
What are the key properties of 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile?
2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile has a molecular weight of 395.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile is sourced from PubChem (CID 56848632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).