CID 140884123

C22H20N4O — CID 140884123

IUPAC—
SMILES[2H]C(C)(C)N1[C]([CH2])N(c2c(C)ccc3c2oc2ncccc23)c2cccnc21
InChIInChI=1S/C22H20N4O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19/h5-13H,4H2,1-3H3/i13D
InChIKeyCSZWCNBENUPPAE-YSOHJTORSA-N
MW357.44 g/mol
LogP5.37
Rot. Bonds2

About CID 140884123

CID 140884123 (PubChem CID 140884123) has the molecular formula C22H20N4O and a molecular weight of 357.44 g/mol.

Molecular Properties

Compound NameCID 140884123
PubChem CID140884123
Molecular FormulaC22H20N4O
Molecular Weight357.44 g/mol
Exact Mass357.17
IUPAC Name—
SMILES[2H]C(C)(C)N1[C]([CH2])N(c2c(C)ccc3c2oc2ncccc23)c2cccnc21
InChIInChI=1S/C22H20N4O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19/h5-13H,4H2,1-3H3/i13D
InChIKeyCSZWCNBENUPPAE-YSOHJTORSA-N
XLogP5.37
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
(E)-N-[(7-amino-2-methyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(8-oxo-7-pyrrolidin-1-yl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)prop-2-enamide
CID 156500135
(E)-N-[(7-amino-2-methyl-1-benzofuran-3-yl)methyl]-3-[(2R,3S)-3-amino-2-methyl-4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl]-N-methylprop-2-enamide
CID 156500262
(2-Butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 24819575
1-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-3-ethyl-1H-benzo[d]imidazol-2(3H)-one
CID 52918207
(S)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54580238
(R)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54581233
rac-3-(1-(6-(benzofuran-2-yl)pyrimidin-4-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54581234
(S)-3-(1-(2-amino-6-(benzofuran-2-yl)pyrimidin-4-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54581235
1-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-3-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 54582258
3-[1-[4-(1-Benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one
CID 54585152
(2-Butyl-1,3-benzoxazol-5-yl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 24790622

Frequently Asked Questions

What is the IUPAC name of CID 140884123?
The IUPAC name of CID 140884123 (CID 140884123) is not available.
What is the SMILES notation for CID 140884123?
The canonical SMILES for CID 140884123 is [2H]C(C)(C)N1[C]([CH2])N(c2c(C)ccc3c2oc2ncccc23)c2cccnc21.
What is the InChIKey of CID 140884123?
The InChIKey is CSZWCNBENUPPAE-YSOHJTORSA-N. The full InChI is InChI=1S/C22H20N4O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19/h5-13H,4H2,1-3H3/i13D.
What are the key properties of CID 140884123?
CID 140884123 has a molecular weight of 357.44 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140884123 is sourced from PubChem (CID 140884123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).