N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

C51H38F2N18O — CID 145037358

IUPACN-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCCNCc1cncc(-c2nc(-c3cc(-c4cncc5[nH]c(-c6n[nH]c7cnc(-c8cncc(NC(=O)C(C)C)c8)c(F)c67)nc45)ccn3)c3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2F)c1
InChIInChI=1S/C51H38F2N18O/c1-4-54-14-25-11-28(16-56-15-25)42-40(53)38-46(69-71-48(38)50-64-35-21-58-19-31(43(35)66-50)26-5-8-55-9-6-26)45(65-42)33-13-27(7-10-60-33)32-20-59-22-36-44(32)67-49(63-36)47-37-34(68-70-47)23-61-41(39(37)52)29-12-30(18-57-17-29)62-51(72)24(2)3/h5-13,15-24,54H,4,14H2,1-3H3,(H,62,72)(H,63,67)(H,64,66)(H,68,70)(H,69,71)
InChIKeyUYSKFXNOINZVRC-UHFFFAOYSA-N
MW956.99 g/mol
LogP9.00
Rot. Bonds12

About N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145037358) has the molecular formula C51H38F2N18O and a molecular weight of 956.99 g/mol. Its IUPAC name is N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID145037358
Molecular FormulaC51H38F2N18O
Molecular Weight956.99 g/mol
Exact Mass956.34
IUPAC NameN-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCCNCc1cncc(-c2nc(-c3cc(-c4cncc5[nH]c(-c6n[nH]c7cnc(-c8cncc(NC(=O)C(C)C)c8)c(F)c67)nc45)ccn3)c3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2F)c1
InChIInChI=1S/C51H38F2N18O/c1-4-54-14-25-11-28(16-56-15-25)42-40(53)38-46(69-71-48(38)50-64-35-21-58-19-31(43(35)66-50)26-5-8-55-9-6-26)45(65-42)33-13-27(7-10-60-33)32-20-59-22-36-44(32)67-49(63-36)47-37-34(68-70-47)23-61-41(39(37)52)29-12-30(18-57-17-29)62-51(72)24(2)3/h5-13,15-24,54H,4,14H2,1-3H3,(H,62,72)(H,63,67)(H,64,66)(H,68,70)(H,69,71)
InChIKeyUYSKFXNOINZVRC-UHFFFAOYSA-N
XLogP9.00
TPSA258.97 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500956.99
LogP ≤ 59.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide 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

Lorecivivint
CID 135565709
MK-4256
CID 56927659
N-[5-(2-Fluorophenyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]-5-({[(3r,4r)-3-Fluoropiperidin-4-Yl]methyl}amino)pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 71307955
Ipivivint
CID 136213660
[(1S,5R)-3-[10-[6-(1H-imidazol-2-yl)-3-pyridinyl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136259916
3-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71454093
3-[(1R,3S)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71462983
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624600
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624602
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(2-piperidin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624603
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-[[(3R,4R)-3-fluoropiperidin-4-yl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624822
N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-[[(3R,4R)-3-fluoropiperidin-1-ium-4-yl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78225888

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145037358) is N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is CCNCc1cncc(-c2nc(-c3cc(-c4cncc5[nH]c(-c6n[nH]c7cnc(-c8cncc(NC(=O)C(C)C)c8)c(F)c67)nc45)ccn3)c3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2F)c1.
What is the InChIKey of N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is UYSKFXNOINZVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38F2N18O/c1-4-54-14-25-11-28(16-56-15-25)42-40(53)38-46(69-71-48(38)50-64-35-21-58-19-31(43(35)66-50)26-5-8-55-9-6-26)45(65-42)33-13-27(7-10-60-33)32-20-59-22-36-44(32)67-49(63-36)47-37-34(68-70-47)23-61-41(39(37)52)29-12-30(18-57-17-29)62-51(72)24(2)3/h5-13,15-24,54H,4,14H2,1-3H3,(H,62,72)(H,63,67)(H,64,66)(H,68,70)(H,69,71).
What are the key properties of N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 956.99 g/mol, XLogP of 9.00, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145037358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).