1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one

C24H23N7O — CID 135345361

IUPAC1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one
SMILESCc1ccncc1-c1cc2cc(Nc3ccc(N4CCNCC4=O)cc3)ncc2c(N)n1
InChIInChI=1S/C24H23N7O/c1-15-6-7-26-12-19(15)21-10-16-11-22(28-13-20(16)24(25)30-21)29-17-2-4-18(5-3-17)31-9-8-27-14-23(31)32/h2-7,10-13,27H,8-9,14H2,1H3,(H2,25,30)(H,28,29)
InChIKeyHPPBSMHTSZEUTJ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.26
Rot. Bonds4

About 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one

1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one (PubChem CID 135345361) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one
PubChem CID135345361
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one
SMILESCc1ccncc1-c1cc2cc(Nc3ccc(N4CCNCC4=O)cc3)ncc2c(N)n1
InChIInChI=1S/C24H23N7O/c1-15-6-7-26-12-19(15)21-10-16-11-22(28-13-20(16)24(25)30-21)29-17-2-4-18(5-3-17)31-9-8-27-14-23(31)32/h2-7,10-13,27H,8-9,14H2,1H3,(H2,25,30)(H,28,29)
InChIKeyHPPBSMHTSZEUTJ-UHFFFAOYSA-N
XLogP3.26
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one?
The IUPAC name of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one (CID 135345361) is 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one.
What is the SMILES notation for 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one?
The canonical SMILES for 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one is Cc1ccncc1-c1cc2cc(Nc3ccc(N4CCNCC4=O)cc3)ncc2c(N)n1.
What is the InChIKey of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one?
The InChIKey is HPPBSMHTSZEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-15-6-7-26-12-19(15)21-10-16-11-22(28-13-20(16)24(25)30-21)29-17-2-4-18(5-3-17)31-9-8-27-14-23(31)32/h2-7,10-13,27H,8-9,14H2,1H3,(H2,25,30)(H,28,29).
What are the key properties of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one?
1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one has a molecular weight of 425.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]piperazin-2-one is sourced from PubChem (CID 135345361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).