1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

C35H39N5O3 — CID 155568596

IUPAC1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(CN2Cc3c(C(=O)NCc4cccc5ccccc45)nn(CCNC(C)(C)CO)c3C2)c2ccccc12
InChIInChI=1S/C35H39N5O3/c1-35(2,23-41)37-17-18-40-31-22-39(20-26-15-16-32(43-3)29-14-7-6-13-28(26)29)21-30(31)33(38-40)34(42)36-19-25-11-8-10-24-9-4-5-12-27(24)25/h4-16,37,41H,17-23H2,1-3H3,(H,36,42)
InChIKeyUJBGCWZUBKOMLL-UHFFFAOYSA-N
MW577.73 g/mol
LogP5.00
Rot. Bonds11

About 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 155568596) has the molecular formula C35H39N5O3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID155568596
Molecular FormulaC35H39N5O3
Molecular Weight577.73 g/mol
Exact Mass577.31
IUPAC Name1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(CN2Cc3c(C(=O)NCc4cccc5ccccc45)nn(CCNC(C)(C)CO)c3C2)c2ccccc12
InChIInChI=1S/C35H39N5O3/c1-35(2,23-41)37-17-18-40-31-22-39(20-26-15-16-32(43-3)29-14-7-6-13-28(26)29)21-30(31)33(38-40)34(42)36-19-25-11-8-10-24-9-4-5-12-27(24)25/h4-16,37,41H,17-23H2,1-3H3,(H,36,42)
InChIKeyUJBGCWZUBKOMLL-UHFFFAOYSA-N
XLogP5.00
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide 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 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (CID 155568596) is 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is COc1ccc(CN2Cc3c(C(=O)NCc4cccc5ccccc45)nn(CCNC(C)(C)CO)c3C2)c2ccccc12.
What is the InChIKey of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is UJBGCWZUBKOMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O3/c1-35(2,23-41)37-17-18-40-31-22-39(20-26-15-16-32(43-3)29-14-7-6-13-28(26)29)21-30(31)33(38-40)34(42)36-19-25-11-8-10-24-9-4-5-12-27(24)25/h4-16,37,41H,17-23H2,1-3H3,(H,36,42).
What are the key properties of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 577.73 g/mol, XLogP of 5.00, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 155568596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).