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

C22H21N5O2 — CID 155225587

IUPAC1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
SMILESC[C@@H]1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cncc(N)c3)cc21
InChIInChI=1S/C22H21N5O2/c1-13-18-9-21(26-15-7-14(23)10-24-11-15)25-12-19(18)17-5-4-16(8-20(17)29-13)27-6-2-3-22(27)28/h4-5,7-13H,2-3,6,23H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyBOQYFUFSZBOJOO-ZDUSSCGKSA-N
MW387.44 g/mol
LogP4.05
Rot. Bonds3

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

1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (PubChem CID 155225587) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
PubChem CID155225587
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
SMILESC[C@@H]1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cncc(N)c3)cc21
InChIInChI=1S/C22H21N5O2/c1-13-18-9-21(26-15-7-14(23)10-24-11-15)25-12-19(18)17-5-4-16(8-20(17)29-13)27-6-2-3-22(27)28/h4-5,7-13H,2-3,6,23H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyBOQYFUFSZBOJOO-ZDUSSCGKSA-N
XLogP4.05
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (CID 155225587) is 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is C[C@@H]1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cncc(N)c3)cc21.
What is the InChIKey of 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The InChIKey is BOQYFUFSZBOJOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-18-9-21(26-15-7-14(23)10-24-11-15)25-12-19(18)17-5-4-16(8-20(17)29-13)27-6-2-3-22(27)28/h4-5,7-13H,2-3,6,23H2,1H3,(H,25,26)/t13-/m0/s1.
What are the key properties of 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one has a molecular weight of 387.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is sourced from PubChem (CID 155225587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).