N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide

C26H27ClF3N7O2 — CID 171067606

IUPACN-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESNc1cc(-c2cc(NCCCNC(=O)CCNCc3ccc(OC(F)(F)F)c(Cl)c3)c3cn[nH]c3c2)ccn1
InChIInChI=1S/C26H27ClF3N7O2/c27-20-10-16(2-3-23(20)39-26(28,29)30)14-32-8-5-25(38)35-7-1-6-33-21-11-18(12-22-19(21)15-36-37-22)17-4-9-34-24(31)13-17/h2-4,9-13,15,32-33H,1,5-8,14H2,(H2,31,34)(H,35,38)(H,36,37)
InChIKeyLIPFRZLHJVJZIX-UHFFFAOYSA-N
MW562.00 g/mol
LogP4.86
Rot. Bonds12

About N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide

N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 171067606) has the molecular formula C26H27ClF3N7O2 and a molecular weight of 562.00 g/mol. Its IUPAC name is N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide
PubChem CID171067606
Molecular FormulaC26H27ClF3N7O2
Molecular Weight562.00 g/mol
Exact Mass561.19
IUPAC NameN-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESNc1cc(-c2cc(NCCCNC(=O)CCNCc3ccc(OC(F)(F)F)c(Cl)c3)c3cn[nH]c3c2)ccn1
InChIInChI=1S/C26H27ClF3N7O2/c27-20-10-16(2-3-23(20)39-26(28,29)30)14-32-8-5-25(38)35-7-1-6-33-21-11-18(12-22-19(21)15-36-37-22)17-4-9-34-24(31)13-17/h2-4,9-13,15,32-33H,1,5-8,14H2,(H2,31,34)(H,35,38)(H,36,37)
InChIKeyLIPFRZLHJVJZIX-UHFFFAOYSA-N
XLogP4.86
TPSA129.98 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.00
LogP ≤ 54.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-[3-(3-Chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 155541538
US20260070901, Example 164
CID 171066025
US20260070901, Example 83
CID 171066417
US20260085062, Example 180
CID 171067376
US20260085062, Example 32
CID 171067378
US20260085062, Example 70
CID 171067391
US20260085062, Example 178
CID 171067392
US20260085062, Example 173
CID 171067403
US20260085062, Example 83
CID 171067455
US20260085062, Example 161
CID 171067486
US20260085062, Example 170
CID 171067495
US20260085062, Example 159
CID 171067510

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide (CID 171067606) is N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide is Nc1cc(-c2cc(NCCCNC(=O)CCNCc3ccc(OC(F)(F)F)c(Cl)c3)c3cn[nH]c3c2)ccn1.
What is the InChIKey of N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is LIPFRZLHJVJZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF3N7O2/c27-20-10-16(2-3-23(20)39-26(28,29)30)14-32-8-5-25(38)35-7-1-6-33-21-11-18(12-22-19(21)15-36-37-22)17-4-9-34-24(31)13-17/h2-4,9-13,15,32-33H,1,5-8,14H2,(H2,31,34)(H,35,38)(H,36,37).
What are the key properties of N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide?
N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 562.00 g/mol, XLogP of 4.86, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(2-amino-4-pyridinyl)-1H-indazol-4-yl]amino]propyl]-3-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 171067606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).