1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol

C33H36FN9O — CID 137284249

IUPAC1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol
SMILESCN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)C(C)(C)C)c6)cc45)nc23)c1
InChIInChI=1S/C33H36FN9O/c1-33(2,3)32(44)38-24-14-21(17-35-18-24)19-6-7-26-25(15-19)29(42-41-26)31-39-27-8-9-37-28(30(27)40-31)20-12-22(34)16-23(13-20)36-10-11-43(4)5/h6-9,12-18,32,36,38,44H,10-11H2,1-5H3,(H,39,40)(H,41,42)
InChIKeyFLMSUIUIVLGZJR-UHFFFAOYSA-N
MW593.71 g/mol
LogP6.12
Rot. Bonds9

About 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol

1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 137284249) has the molecular formula C33H36FN9O and a molecular weight of 593.71 g/mol. Its IUPAC name is 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID137284249
Molecular FormulaC33H36FN9O
Molecular Weight593.71 g/mol
Exact Mass593.30
IUPAC Name1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol
SMILESCN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)C(C)(C)C)c6)cc45)nc23)c1
InChIInChI=1S/C33H36FN9O/c1-33(2,3)32(44)38-24-14-21(17-35-18-24)19-6-7-26-25(15-19)29(42-41-26)31-39-27-8-9-37-28(30(27)40-31)20-12-22(34)16-23(13-20)36-10-11-43(4)5/h6-9,12-18,32,36,38,44H,10-11H2,1-5H3,(H,39,40)(H,41,42)
InChIKeyFLMSUIUIVLGZJR-UHFFFAOYSA-N
XLogP6.12
TPSA130.67 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.71
LogP ≤ 56.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol 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-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol (CID 137284249) is 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol is CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)C(C)(C)C)c6)cc45)nc23)c1.
What is the InChIKey of 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is FLMSUIUIVLGZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN9O/c1-33(2,3)32(44)38-24-14-21(17-35-18-24)19-6-7-26-25(15-19)29(42-41-26)31-39-27-8-9-37-28(30(27)40-31)20-12-22(34)16-23(13-20)36-10-11-43(4)5/h6-9,12-18,32,36,38,44H,10-11H2,1-5H3,(H,39,40)(H,41,42).
What are the key properties of 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol?
1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 593.71 g/mol, XLogP of 6.12, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 137284249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).