4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine

C26H25F2N7O — CID 90099605

IUPAC4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)c(F)cc1F
InChIInChI=1S/C26H25F2N7O/c1-36-22-12-20(18(27)11-19(22)28)32-23-10-16(4-5-31-23)25-33-21-14-30-13-17(15-2-3-15)24(21)26(34-25)35-8-6-29-7-9-35/h4-5,10-15,29H,2-3,6-9H2,1H3,(H,31,32)
InChIKeyCPAZMCNALJZYTP-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.40
Rot. Bonds6

About 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine

4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine (PubChem CID 90099605) has the molecular formula C26H25F2N7O and a molecular weight of 489.53 g/mol. Its IUPAC name is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine
PubChem CID90099605
Molecular FormulaC26H25F2N7O
Molecular Weight489.53 g/mol
Exact Mass489.21
IUPAC Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)c(F)cc1F
InChIInChI=1S/C26H25F2N7O/c1-36-22-12-20(18(27)11-19(22)28)32-23-10-16(4-5-31-23)25-33-21-14-30-13-17(15-2-3-15)24(21)26(34-25)35-8-6-29-7-9-35/h4-5,10-15,29H,2-3,6-9H2,1H3,(H,31,32)
InChIKeyCPAZMCNALJZYTP-UHFFFAOYSA-N
XLogP4.40
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-fluoropyridin-3-amine
CID 90099296
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
2-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]benzonitrile
CID 90098535
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-methylpyridin-3-amine
CID 90099833
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
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(3-fluorocyclobutyl)pyridin-2-amine
CID 90099989
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine
CID 90098752
N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]pyrimidin-5-amine
CID 90099994
6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 90098703
4-[5-cyclopropyl-4-[(3S)-3-cyclopropylpiperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-N-(2-fluorophenyl)pyridin-2-amine
CID 90099587

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine (CID 90099605) is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine is COc1cc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)c(F)cc1F.
What is the InChIKey of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine?
The InChIKey is CPAZMCNALJZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O/c1-36-22-12-20(18(27)11-19(22)28)32-23-10-16(4-5-31-23)25-33-21-14-30-13-17(15-2-3-15)24(21)26(34-25)35-8-6-29-7-9-35/h4-5,10-15,29H,2-3,6-9H2,1H3,(H,31,32).
What are the key properties of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine?
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine has a molecular weight of 489.53 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluoro-5-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 90099605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).