1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one

C21H19N5O2 — CID 142612064

IUPAC1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
SMILESCC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cccnn3)cc21
InChIInChI=1S/C21H19N5O2/c1-13-16-11-20(24-19-4-2-8-23-25-19)22-12-17(16)15-7-6-14(10-18(15)28-13)26-9-3-5-21(26)27/h2,4,6-8,10-13H,3,5,9H2,1H3,(H,22,24,25)
InChIKeyXUNDYJSKDPPTPX-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.86
Rot. Bonds3

About 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one

1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (PubChem CID 142612064) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
PubChem CID142612064
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
SMILESCC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cccnn3)cc21
InChIInChI=1S/C21H19N5O2/c1-13-16-11-20(24-19-4-2-8-23-25-19)22-12-17(16)15-7-6-14(10-18(15)28-13)26-9-3-5-21(26)27/h2,4,6-8,10-13H,3,5,9H2,1H3,(H,22,24,25)
InChIKeyXUNDYJSKDPPTPX-UHFFFAOYSA-N
XLogP3.86
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(3-amino-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one
CID 142611989
1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
CID 155225587
1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
CID 166707860
1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
CID 142612084
1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
CID 142612116
(8aR)-3-(methylideneamino)-4-[(E)-2-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]prop-1-enyl]-1,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-6-one
CID 166717050
1-(5-methyl-4-pyridin-4-yl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one
CID 142612210
(6S)-12-[[9-fluoro-5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-4,4-dimethyl-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-3-one
CID 142612038
1-[4-[4-cyclopropyl-6-[[(6S)-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 166787996
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
(E)-4-(dimethylamino)-N-[3-[3-[[5-[[5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]amino]-3-oxopropyl]phenyl]but-2-enamide
CID 142612081

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (CID 142612064) is 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is CC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cccnn3)cc21.
What is the InChIKey of 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The InChIKey is XUNDYJSKDPPTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-16-11-20(24-19-4-2-8-23-25-19)22-12-17(16)15-7-6-14(10-18(15)28-13)26-9-3-5-21(26)27/h2,4,6-8,10-13H,3,5,9H2,1H3,(H,22,24,25).
What are the key properties of 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one has a molecular weight of 373.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is sourced from PubChem (CID 142612064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).