N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine

C24H21F2N7 — CID 90099690

IUPACN-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
SMILESC=Cc1cncc2nc(-c3ccnc(Nc4c(F)cccc4F)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C24H21F2N7/c1-2-15-13-28-14-19-21(15)24(33-10-8-27-9-11-33)32-23(30-19)16-6-7-29-20(12-16)31-22-17(25)4-3-5-18(22)26/h2-7,12-14,27H,1,8-11H2,(H,29,31)
InChIKeyRPGSWVPWSDQNPJ-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.16
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine

N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine (PubChem CID 90099690) has the molecular formula C24H21F2N7 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
PubChem CID90099690
Molecular FormulaC24H21F2N7
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
SMILESC=Cc1cncc2nc(-c3ccnc(Nc4c(F)cccc4F)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C24H21F2N7/c1-2-15-13-28-14-19-21(15)24(33-10-8-27-9-11-33)32-23(30-19)16-6-7-29-20(12-16)31-22-17(25)4-3-5-18(22)26/h2-7,12-14,27H,1,8-11H2,(H,29,31)
InChIKeyRPGSWVPWSDQNPJ-UHFFFAOYSA-N
XLogP4.16
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-fluorophenyl)pyridin-2-amine
CID 86716695
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098813
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyridin-2-amine
CID 90099117
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-fluoropyridin-3-amine
CID 90099296
3,5-difluoro-N-[4-[4-piperazin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 90098876
4-[5-cyclopropyl-4-[(3R)-3-(methylsulfonylmethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-N-(2,6-difluorophenyl)pyridin-2-amine
CID 90099814
N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]pyrimidin-5-amine
CID 90099994
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine
CID 90099357
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-methylphenyl)pyridin-2-amine
CID 90099798
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine
CID 90099605
4-[5-(cyclobutadienyl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 90098690
2-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]benzonitrile
CID 90098535

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine (CID 90099690) is N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine is C=Cc1cncc2nc(-c3ccnc(Nc4c(F)cccc4F)c3)nc(N3CCNCC3)c12.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
The InChIKey is RPGSWVPWSDQNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7/c1-2-15-13-28-14-19-21(15)24(33-10-8-27-9-11-33)32-23(30-19)16-6-7-29-20(12-16)31-22-17(25)4-3-5-18(22)26/h2-7,12-14,27H,1,8-11H2,(H,29,31).
What are the key properties of N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine has a molecular weight of 445.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(5-ethenyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 90099690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).