N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide

C37H38FN11O4 — CID 176705962

IUPACN-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)Nc2cn(-c3ccc(N4CCN(C5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc2C(N)=O)n1
InChIInChI=1S/C37H38FN11O4/c38-28-20-23(41-30-9-11-33(50)44-37(30)53)4-10-32(28)48-14-12-26(13-15-48)47-18-16-46(17-19-47)25-5-7-27(8-6-25)49-22-31(34(45-49)35(40)51)43-36(52)29-3-1-2-24(21-39)42-29/h1-8,10,20,22,26,30,41H,9,11-19H2,(H2,40,51)(H,43,52)(H,44,50,53)
InChIKeyHOBSGYNTZFKNNE-UHFFFAOYSA-N
MW719.78 g/mol
LogP2.64
Rot. Bonds9

About N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide

N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide (PubChem CID 176705962) has the molecular formula C37H38FN11O4 and a molecular weight of 719.78 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide
PubChem CID176705962
Molecular FormulaC37H38FN11O4
Molecular Weight719.78 g/mol
Exact Mass719.31
IUPAC NameN-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)Nc2cn(-c3ccc(N4CCN(C5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc2C(N)=O)n1
InChIInChI=1S/C37H38FN11O4/c38-28-20-23(41-30-9-11-33(50)44-37(30)53)4-10-32(28)48-14-12-26(13-15-48)47-18-16-46(17-19-47)25-5-7-27(8-6-25)49-22-31(34(45-49)35(40)51)43-36(52)29-3-1-2-24(21-39)42-29/h1-8,10,20,22,26,30,41H,9,11-19H2,(H2,40,51)(H,43,52)(H,44,50,53)
InChIKeyHOBSGYNTZFKNNE-UHFFFAOYSA-N
XLogP2.64
TPSA194.61 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.78
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide 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

N-[3-carbamoyl-1-[3-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705860
3-[3-fluoro-4-[4-[4-(methylamino)cyclohexyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 172590660
4-[[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperazin-1-yl]cyclohexyl]-[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172590916
1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide
CID 172592115
3-[3-fluoro-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]piperidine-2,6-dione;hydrochloride
CID 178082091
N-[3-carbamoyl-1-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705880
1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-N-[4-[[5-fluoro-4-(3-piperidin-1-ylphenyl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide
CID 172589803
3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172589839
5-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]pentanoic acid
CID 171637309
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 171598924
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide (CID 176705962) is N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide is N#Cc1cccc(C(=O)Nc2cn(-c3ccc(N4CCN(C5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc2C(N)=O)n1.
What is the InChIKey of N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide?
The InChIKey is HOBSGYNTZFKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38FN11O4/c38-28-20-23(41-30-9-11-33(50)44-37(30)53)4-10-32(28)48-14-12-26(13-15-48)47-18-16-46(17-19-47)25-5-7-27(8-6-25)49-22-31(34(45-49)35(40)51)43-36(52)29-3-1-2-24(21-39)42-29/h1-8,10,20,22,26,30,41H,9,11-19H2,(H2,40,51)(H,43,52)(H,44,50,53).
What are the key properties of N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide?
N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide has a molecular weight of 719.78 g/mol, XLogP of 2.64, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]phenyl]pyrazol-4-yl]-6-cyanopyridine-2-carboxamide is sourced from PubChem (CID 176705962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).