(5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide

C30H33N5O3 — CID 129155369

IUPAC(5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
SMILESCN1CC[C@@](C)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)[C@@H](OCc3ccccc3)C4)c2)C1=O
InChIInChI=1S/C30H33N5O3/c1-29(2)18-23-22(17-24(29)38-19-21-8-6-5-7-9-21)26(27(31)36)33-35(23)25-16-20(11-14-32-25)10-12-30(3)13-15-34(4)28(30)37/h5-9,11,14,16,24H,13,15,17-19H2,1-4H3,(H2,31,36)/t24-,30+/m0/s1
InChIKeyRRRBGADKICRTPL-QABMSTFYSA-N
MW511.63 g/mol
LogP3.30
Rot. Bonds5

About (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide

(5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide (PubChem CID 129155369) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
PubChem CID129155369
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name(5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
SMILESCN1CC[C@@](C)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)[C@@H](OCc3ccccc3)C4)c2)C1=O
InChIInChI=1S/C30H33N5O3/c1-29(2)18-23-22(17-24(29)38-19-21-8-6-5-7-9-21)26(27(31)36)33-35(23)25-16-20(11-14-32-25)10-12-30(3)13-15-34(4)28(30)37/h5-9,11,14,16,24H,13,15,17-19H2,1-4H3,(H2,31,36)/t24-,30+/m0/s1
InChIKeyRRRBGADKICRTPL-QABMSTFYSA-N
XLogP3.30
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-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 (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
The IUPAC name of (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide (CID 129155369) is (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide.
What is the SMILES notation for (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
The canonical SMILES for (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide is CN1CC[C@@](C)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC(C)(C)[C@@H](OCc3ccccc3)C4)c2)C1=O.
What is the InChIKey of (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
The InChIKey is RRRBGADKICRTPL-QABMSTFYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-29(2)18-23-22(17-24(29)38-19-21-8-6-5-7-9-21)26(27(31)36)33-35(23)25-16-20(11-14-32-25)10-12-30(3)13-15-34(4)28(30)37/h5-9,11,14,16,24H,13,15,17-19H2,1-4H3,(H2,31,36)/t24-,30+/m0/s1.
What are the key properties of (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide?
(5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 129155369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).