N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide

C64H70F9N15O6 — CID 137455976

IUPACN-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide
SMILESCNC(=O)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccc(-n5nc(C(=O)N6CCC(c7cccc(-n8nc(C(=O)N9CCC(c%10ccccc%10C(F)(F)F)CC9)c9c8CN(C(=O)NC)CC9)c7C(F)(F)F)CC6)c6c5CCN(C(=O)NC)C6)cc4C(F)(F)F)CC3)c2C1
InChIInChI=1S/C64H70F9N15O6/c1-74-59(92)84-23-7-11-48-44(33-84)53(78-77-48)56(89)81-24-17-37(18-25-81)41-14-13-39(32-47(41)63(68,69)70)87-49-22-31-85(60(93)75-2)34-45(49)55(79-87)58(91)83-28-19-38(20-29-83)42-9-6-12-50(52(42)64(71,72)73)88-51-35-86(61(94)76-3)30-21-43(51)54(80-88)57(90)82-26-15-36(16-27-82)40-8-4-5-10-46(40)62(65,66)67/h4-6,8-10,12-14,32,36-38H,7,11,15-31,33-35H2,1-3H3,(H,74,92)(H,75,93)(H,76,94)(H,77,78)
InChIKeyOVHSLBFTVLSKPO-UHFFFAOYSA-N
MW1316.34 g/mol
LogP9.38
Rot. Bonds8

About N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide

N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide (PubChem CID 137455976) has the molecular formula C64H70F9N15O6 and a molecular weight of 1316.34 g/mol. Its IUPAC name is N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide
PubChem CID137455976
Molecular FormulaC64H70F9N15O6
Molecular Weight1316.34 g/mol
Exact Mass1315.55
IUPAC NameN-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide
SMILESCNC(=O)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccc(-n5nc(C(=O)N6CCC(c7cccc(-n8nc(C(=O)N9CCC(c%10ccccc%10C(F)(F)F)CC9)c9c8CN(C(=O)NC)CC9)c7C(F)(F)F)CC6)c6c5CCN(C(=O)NC)C6)cc4C(F)(F)F)CC3)c2C1
InChIInChI=1S/C64H70F9N15O6/c1-74-59(92)84-23-7-11-48-44(33-84)53(78-77-48)56(89)81-24-17-37(18-25-81)41-14-13-39(32-47(41)63(68,69)70)87-49-22-31-85(60(93)75-2)34-45(49)55(79-87)58(91)83-28-19-38(20-29-83)42-9-6-12-50(52(42)64(71,72)73)88-51-35-86(61(94)76-3)30-21-43(51)54(80-88)57(90)82-26-15-36(16-27-82)40-8-4-5-10-46(40)62(65,66)67/h4-6,8-10,12-14,32,36-38H,7,11,15-31,33-35H2,1-3H3,(H,74,92)(H,75,93)(H,76,94)(H,77,78)
InChIKeyOVHSLBFTVLSKPO-UHFFFAOYSA-N
XLogP9.38
TPSA222.27 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.34
LogP ≤ 59.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-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 N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?
The IUPAC name of N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide (CID 137455976) is N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide.
What is the SMILES notation for N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?
The canonical SMILES for N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide is CNC(=O)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccc(-n5nc(C(=O)N6CCC(c7cccc(-n8nc(C(=O)N9CCC(c%10ccccc%10C(F)(F)F)CC9)c9c8CN(C(=O)NC)CC9)c7C(F)(F)F)CC6)c6c5CCN(C(=O)NC)C6)cc4C(F)(F)F)CC3)c2C1.
What is the InChIKey of N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?
The InChIKey is OVHSLBFTVLSKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H70F9N15O6/c1-74-59(92)84-23-7-11-48-44(33-84)53(78-77-48)56(89)81-24-17-37(18-25-81)41-14-13-39(32-47(41)63(68,69)70)87-49-22-31-85(60(93)75-2)34-45(49)55(79-87)58(91)83-28-19-38(20-29-83)42-9-6-12-50(52(42)64(71,72)73)88-51-35-86(61(94)76-3)30-21-43(51)54(80-88)57(90)82-26-15-36(16-27-82)40-8-4-5-10-46(40)62(65,66)67/h4-6,8-10,12-14,32,36-38H,7,11,15-31,33-35H2,1-3H3,(H,74,92)(H,75,93)(H,76,94)(H,77,78).
What are the key properties of N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?
N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide has a molecular weight of 1316.34 g/mol, XLogP of 9.38, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[3-[6-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide is sourced from PubChem (CID 137455976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).