1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone

C34H48N6O3 — CID 134555323

IUPAC1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone
SMILESCC(C)c1ccc2c(n1)CCN(C(=O)[C@@H]1C[C@@H](O)CN1CCC(C)c1ccc3c(n1)CCN(C(=O)CN1CCCC1)C3)C2
InChIInChI=1S/C34H48N6O3/c1-23(2)28-8-6-26-20-40(17-12-30(26)35-28)34(43)32-18-27(41)21-38(32)15-10-24(3)29-9-7-25-19-39(16-11-31(25)36-29)33(42)22-37-13-4-5-14-37/h6-9,23-24,27,32,41H,4-5,10-22H2,1-3H3/t24?,27-,32+/m1/s1
InChIKeyNIMZYQPFZIHAHT-SUBBIZLTSA-N
MW588.80 g/mol
LogP3.09
Rot. Bonds8

About 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone

1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 134555323) has the molecular formula C34H48N6O3 and a molecular weight of 588.80 g/mol. Its IUPAC name is 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone
PubChem CID134555323
Molecular FormulaC34H48N6O3
Molecular Weight588.80 g/mol
Exact Mass588.38
IUPAC Name1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone
SMILESCC(C)c1ccc2c(n1)CCN(C(=O)[C@@H]1C[C@@H](O)CN1CCC(C)c1ccc3c(n1)CCN(C(=O)CN1CCCC1)C3)C2
InChIInChI=1S/C34H48N6O3/c1-23(2)28-8-6-26-20-40(17-12-30(26)35-28)34(43)32-18-27(41)21-38(32)15-10-24(3)29-9-7-25-19-39(16-11-31(25)36-29)33(42)22-37-13-4-5-14-37/h6-9,23-24,27,32,41H,4-5,10-22H2,1-3H3/t24?,27-,32+/m1/s1
InChIKeyNIMZYQPFZIHAHT-SUBBIZLTSA-N
XLogP3.09
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone 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-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone (CID 134555323) is 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone is CC(C)c1ccc2c(n1)CCN(C(=O)[C@@H]1C[C@@H](O)CN1CCC(C)c1ccc3c(n1)CCN(C(=O)CN1CCCC1)C3)C2.
What is the InChIKey of 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is NIMZYQPFZIHAHT-SUBBIZLTSA-N. The full InChI is InChI=1S/C34H48N6O3/c1-23(2)28-8-6-26-20-40(17-12-30(26)35-28)34(43)32-18-27(41)21-38(32)15-10-24(3)29-9-7-25-19-39(16-11-31(25)36-29)33(42)22-37-13-4-5-14-37/h6-9,23-24,27,32,41H,4-5,10-22H2,1-3H3/t24?,27-,32+/m1/s1.
What are the key properties of 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone?
1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 588.80 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 134555323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).