N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen

C36H42F3N7O2 — CID 163388462

IUPACN-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen
SMILESCOCCN1CCC(c2ccc(-c3cc(C(F)(F)F)c4cn(C(C(=O)NC5=NC=CCC5)c5ncn6c5CCC6)nc4c3C)cc2)CC1.[H][H]
InChIInChI=1S/C36H40F3N7O2.H2/c1-23-27(26-10-8-24(9-11-26)25-12-16-44(17-13-25)18-19-48-2)20-29(36(37,38)39)28-21-46(43-32(23)28)34(33-30-6-5-15-45(30)22-41-33)35(47)42-31-7-3-4-14-40-31;/h4,8-11,14,20-22,25,34H,3,5-7,12-13,15-19H2,1-2H3,(H,40,42,47);1H
InChIKeyJWCKTFILOQIBAY-UHFFFAOYSA-N
MW661.77 g/mol
LogP6.66
Rot. Bonds8

About N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen

N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen (PubChem CID 163388462) has the molecular formula C36H42F3N7O2 and a molecular weight of 661.77 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen
PubChem CID163388462
Molecular FormulaC36H42F3N7O2
Molecular Weight661.77 g/mol
Exact Mass661.34
IUPAC NameN-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen
SMILESCOCCN1CCC(c2ccc(-c3cc(C(F)(F)F)c4cn(C(C(=O)NC5=NC=CCC5)c5ncn6c5CCC6)nc4c3C)cc2)CC1.[H][H]
InChIInChI=1S/C36H40F3N7O2.H2/c1-23-27(26-10-8-24(9-11-26)25-12-16-44(17-13-25)18-19-48-2)20-29(36(37,38)39)28-21-46(43-32(23)28)34(33-30-6-5-15-45(30)22-41-33)35(47)42-31-7-3-4-14-40-31;/h4,8-11,14,20-22,25,34H,3,5-7,12-13,15-19H2,1-2H3,(H,40,42,47);1H
InChIKeyJWCKTFILOQIBAY-UHFFFAOYSA-N
XLogP6.66
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.77
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen 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 N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen?
The IUPAC name of N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen (CID 163388462) is N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen is COCCN1CCC(c2ccc(-c3cc(C(F)(F)F)c4cn(C(C(=O)NC5=NC=CCC5)c5ncn6c5CCC6)nc4c3C)cc2)CC1.[H][H].
What is the InChIKey of N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen?
The InChIKey is JWCKTFILOQIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40F3N7O2.H2/c1-23-27(26-10-8-24(9-11-26)25-12-16-44(17-13-25)18-19-48-2)20-29(36(37,38)39)28-21-46(43-32(23)28)34(33-30-6-5-15-45(30)22-41-33)35(47)42-31-7-3-4-14-40-31;/h4,8-11,14,20-22,25,34H,3,5-7,12-13,15-19H2,1-2H3,(H,40,42,47);1H.
What are the key properties of N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen?
N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen has a molecular weight of 661.77 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 163388462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).