CID 154730508

C20H20N5O6 — CID 154730508

IUPAC—
SMILESNc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC([O])=O)C(=O)O)cc3)c2c(=O)[nH]1
InChIInChI=1S/C20H20N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
InChIKeySCVNUNYZBRREMY-ZDUSSCGKSA-N
MW426.41 g/mol
LogP0.54
Rot. Bonds9

About CID 154730508

CID 154730508 (PubChem CID 154730508) has the molecular formula C20H20N5O6 and a molecular weight of 426.41 g/mol.

Molecular Properties

Compound NameCID 154730508
PubChem CID154730508
Molecular FormulaC20H20N5O6
Molecular Weight426.41 g/mol
Exact Mass426.14
IUPAC Name—
SMILESNc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC([O])=O)C(=O)O)cc3)c2c(=O)[nH]1
InChIInChI=1S/C20H20N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
InChIKeySCVNUNYZBRREMY-ZDUSSCGKSA-N
XLogP0.54
TPSA190.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze CID 154730508 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
CID 135410875
D-Pemetrexed Hydrate
CID 137190285
disodium;2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid;hydride
CID 173109828
2-[[4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 171369709
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 167287835
(2S)-2-[[(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 135877968
2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-oxo-5-(2-propoxyethoxy)pentanoic acid
CID 137093447
4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 137256273
(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-6,6-dimethyl-5-oxoheptanoic acid
CID 168850101
4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanoic acid
CID 135981108
(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-3-methylbutanoic acid
CID 135488889
(2R)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 157106421

Frequently Asked Questions

What is the IUPAC name of CID 154730508?
The IUPAC name of CID 154730508 (CID 154730508) is not available.
What is the SMILES notation for CID 154730508?
The canonical SMILES for CID 154730508 is Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC([O])=O)C(=O)O)cc3)c2c(=O)[nH]1.
What is the InChIKey of CID 154730508?
The InChIKey is SCVNUNYZBRREMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1.
What are the key properties of CID 154730508?
CID 154730508 has a molecular weight of 426.41 g/mol, XLogP of 0.54, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154730508 is sourced from PubChem (CID 154730508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).