[6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid

C31H33N7O4 — CID 146421487

IUPAC[6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid
SMILESCC(C)CC[C@]1(c2ccccc2)N=C(N)N([C@@H]2CCc3ccc(C(=O)N4Cc5cnc(NC(=O)O)nc5C4)cc32)C1=O
InChIInChI=1S/C31H33N7O4/c1-18(2)12-13-31(22-6-4-3-5-7-22)27(40)38(28(32)36-31)25-11-10-19-8-9-20(14-23(19)25)26(39)37-16-21-15-33-29(35-30(41)42)34-24(21)17-37/h3-9,14-15,18,25H,10-13,16-17H2,1-2H3,(H2,32,36)(H,41,42)(H,33,34,35)/t25-,31-/m1/s1
InChIKeySPXRQOCMECSHPJ-OOWIMERYSA-N
MW567.65 g/mol
LogP4.20
Rot. Bonds7

About [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid

[6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid (PubChem CID 146421487) has the molecular formula C31H33N7O4 and a molecular weight of 567.65 g/mol. Its IUPAC name is [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid
PubChem CID146421487
Molecular FormulaC31H33N7O4
Molecular Weight567.65 g/mol
Exact Mass567.26
IUPAC Name[6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid
SMILESCC(C)CC[C@]1(c2ccccc2)N=C(N)N([C@@H]2CCc3ccc(C(=O)N4Cc5cnc(NC(=O)O)nc5C4)cc32)C1=O
InChIInChI=1S/C31H33N7O4/c1-18(2)12-13-31(22-6-4-3-5-7-22)27(40)38(28(32)36-31)25-11-10-19-8-9-20(14-23(19)25)26(39)37-16-21-15-33-29(35-30(41)42)34-24(21)17-37/h3-9,14-15,18,25H,10-13,16-17H2,1-2H3,(H2,32,36)(H,41,42)(H,33,34,35)/t25-,31-/m1/s1
InChIKeySPXRQOCMECSHPJ-OOWIMERYSA-N
XLogP4.20
TPSA154.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid?
The IUPAC name of [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid (CID 146421487) is [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid.
What is the SMILES notation for [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid?
The canonical SMILES for [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid is CC(C)CC[C@]1(c2ccccc2)N=C(N)N([C@@H]2CCc3ccc(C(=O)N4Cc5cnc(NC(=O)O)nc5C4)cc32)C1=O.
What is the InChIKey of [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid?
The InChIKey is SPXRQOCMECSHPJ-OOWIMERYSA-N. The full InChI is InChI=1S/C31H33N7O4/c1-18(2)12-13-31(22-6-4-3-5-7-22)27(40)38(28(32)36-31)25-11-10-19-8-9-20(14-23(19)25)26(39)37-16-21-15-33-29(35-30(41)42)34-24(21)17-37/h3-9,14-15,18,25H,10-13,16-17H2,1-2H3,(H2,32,36)(H,41,42)(H,33,34,35)/t25-,31-/m1/s1.
What are the key properties of [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid?
[6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid has a molecular weight of 567.65 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3R)-3-[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamic acid is sourced from PubChem (CID 146421487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).