1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one

C23H27IN6O — CID 46848028

IUPAC1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCc1c([124I])c(=O)n(C2CCCC2)c2cc(Nc3ccc(N4CCNCC4)cn3)ncc12
InChIInChI=1S/C23H27IN6O/c1-15-18-14-27-21(12-19(18)30(23(31)22(15)24)16-4-2-3-5-16)28-20-7-6-17(13-26-20)29-10-8-25-9-11-29/h6-7,12-14,16,25H,2-5,8-11H2,1H3,(H,26,27,28)/i24-3
InChIKeyLDGMTDQAMNMPQA-SQAGKMLGSA-N
MW527.42 g/mol
LogP3.97
Rot. Bonds4

About 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one

1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one (PubChem CID 46848028) has the molecular formula C23H27IN6O and a molecular weight of 527.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
PubChem CID46848028
Molecular FormulaC23H27IN6O
Molecular Weight527.42 g/mol
Exact Mass527.13
IUPAC Name1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCc1c([124I])c(=O)n(C2CCCC2)c2cc(Nc3ccc(N4CCNCC4)cn3)ncc12
InChIInChI=1S/C23H27IN6O/c1-15-18-14-27-21(12-19(18)30(23(31)22(15)24)16-4-2-3-5-16)28-20-7-6-17(13-26-20)29-10-8-25-9-11-29/h6-7,12-14,16,25H,2-5,8-11H2,1H3,(H,26,27,28)/i24-3
InChIKeyLDGMTDQAMNMPQA-SQAGKMLGSA-N
XLogP3.97
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299638
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
8-cyclopentyl-10-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300068
tert-butyl 4-[6-[(8-cyclopentyl-6-(124I)iodo-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 45113527
3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one
CID 135286405
1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
CID 155458659
8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 171795723
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58016035
8-cyclopentyl-6-(2-methylpropoxy)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 10152333
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868
1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine
CID 175159451

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one (CID 46848028) is 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one is Cc1c([124I])c(=O)n(C2CCCC2)c2cc(Nc3ccc(N4CCNCC4)cn3)ncc12.
What is the InChIKey of 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The InChIKey is LDGMTDQAMNMPQA-SQAGKMLGSA-N. The full InChI is InChI=1S/C23H27IN6O/c1-15-18-14-27-21(12-19(18)30(23(31)22(15)24)16-4-2-3-5-16)28-20-7-6-17(13-26-20)29-10-8-25-9-11-29/h6-7,12-14,16,25H,2-5,8-11H2,1H3,(H,26,27,28)/i24-3.
What are the key properties of 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one has a molecular weight of 527.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 46848028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).