8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

C22H20FN7 — CID 118163030

IUPAC8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESFc1ccccc1-c1nccc2cnc(Nc3ccc(N4CCNCC4)nc3)nc12
InChIInChI=1S/C22H20FN7/c23-18-4-2-1-3-17(18)21-20-15(7-8-25-21)13-27-22(29-20)28-16-5-6-19(26-14-16)30-11-9-24-10-12-30/h1-8,13-14,24H,9-12H2,(H,27,28,29)
InChIKeyASSAZKULZSIBSY-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.38
Rot. Bonds4

About 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 118163030) has the molecular formula C22H20FN7 and a molecular weight of 401.45 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID118163030
Molecular FormulaC22H20FN7
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESFc1ccccc1-c1nccc2cnc(Nc3ccc(N4CCNCC4)nc3)nc12
InChIInChI=1S/C22H20FN7/c23-18-4-2-1-3-17(18)21-20-15(7-8-25-21)13-27-22(29-20)28-16-5-6-19(26-14-16)30-11-9-24-10-12-30/h1-8,13-14,24H,9-12H2,(H,27,28,29)
InChIKeyASSAZKULZSIBSY-UHFFFAOYSA-N
XLogP3.38
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118162900
N-[3-[2-[(6-piperazin-1-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-ynamide
CID 118163087
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine
CID 175337831
8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 118162915
N-(6-morpholin-4-yl-3-pyridinyl)-8-pyridin-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 118162872
8-(5-chloro-2-fluorophenyl)-2-N-(4-piperazin-1-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 126600120
1,4-dioxido-N-(6-piperazin-1-yl-3-pyridinyl)-1,4-dihydro-1,2,4-benzotriazine-1,4-diium-3-amine
CID 91444800
2-[[5-chloro-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-6-[(2-fluorophenyl)methoxy]benzonitrile
CID 156817889
4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
CID 18545602
8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163106
7-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-3,5-difluorophenyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 68991375

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (CID 118163030) is 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is Fc1ccccc1-c1nccc2cnc(Nc3ccc(N4CCNCC4)nc3)nc12.
What is the InChIKey of 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ASSAZKULZSIBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7/c23-18-4-2-1-3-17(18)21-20-15(7-8-25-21)13-27-22(29-20)28-16-5-6-19(26-14-16)30-11-9-24-10-12-30/h1-8,13-14,24H,9-12H2,(H,27,28,29).
What are the key properties of 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?
8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 401.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 118163030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).