N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide

C31H34ClF5N4O4 — CID 164910566

IUPACN-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide
SMILESC=c1c(OC)cc(CC(c2cc3c(c(-c4cc(F)c(F)cc4Cl)n2)OCC3C)C(F)(F)F)c/c1=C/NCCC.NC=O.NC=O
InChIInChI=1S/C29H28ClF5N2O2.2CH3NO/c1-5-6-36-13-18-7-17(9-26(38-4)16(18)3)8-21(29(33,34)35)25-11-19-15(2)14-39-28(19)27(37-25)20-10-23(31)24(32)12-22(20)30;2*2-1-3/h7,9-13,15,21,36H,3,5-6,8,14H2,1-2,4H3;2*1H,(H2,2,3)/b18-13-;;
InChIKeyQNICDLOMTSTNKK-TWNXTNBYSA-N
MW657.08 g/mol
LogP4.42
Rot. Bonds8

About N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide

N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide (PubChem CID 164910566) has the molecular formula C31H34ClF5N4O4 and a molecular weight of 657.08 g/mol. Its IUPAC name is N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide.

Molecular Properties

Compound NameN-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide
PubChem CID164910566
Molecular FormulaC31H34ClF5N4O4
Molecular Weight657.08 g/mol
Exact Mass656.22
IUPAC NameN-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide
SMILESC=c1c(OC)cc(CC(c2cc3c(c(-c4cc(F)c(F)cc4Cl)n2)OCC3C)C(F)(F)F)c/c1=C/NCCC.NC=O.NC=O
InChIInChI=1S/C29H28ClF5N2O2.2CH3NO/c1-5-6-36-13-18-7-17(9-26(38-4)16(18)3)8-21(29(33,34)35)25-11-19-15(2)14-39-28(19)27(37-25)20-10-23(31)24(32)12-22(20)30;2*2-1-3/h7,9-13,15,21,36H,3,5-6,8,14H2,1-2,4H3;2*1H,(H2,2,3)/b18-13-;;
InChIKeyQNICDLOMTSTNKK-TWNXTNBYSA-N
XLogP4.42
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.08
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide 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

3-amino-2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 117924210
2-Amino-1-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanol
CID 117924713
tert-butyl N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(3-chloro-4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-yl]carbamate
CID 117936576
benzyl N-[7-chloro-5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]carbamate
CID 122501535
N-[2-[3-amino-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-5-methoxycyclohexa-2,4-diene-1-carboxamide
CID 122521240
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide
CID 123271054
2-(7-Chloro-3-ethyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3,3,3-trifluoropropan-1-amine
CID 139332064
[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
CID 140879659
7-(3-Chloro-4-fluorophenyl)-3,5-dimethyl-2,3-dihydrofuro[2,3-c]pyridine
CID 144796354
tert-butyl N-[5-(3-amino-1,1,1-trifluoropropan-2-yl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-yl]carbamate
CID 145145895
3,3,3-Trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
CID 148974588
[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4S)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
CID 153328339

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide?
The IUPAC name of N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide (CID 164910566) is N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide.
What is the SMILES notation for N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide?
The canonical SMILES for N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide is C=c1c(OC)cc(CC(c2cc3c(c(-c4cc(F)c(F)cc4Cl)n2)OCC3C)C(F)(F)F)c/c1=C/NCCC.NC=O.NC=O.
What is the InChIKey of N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide?
The InChIKey is QNICDLOMTSTNKK-TWNXTNBYSA-N. The full InChI is InChI=1S/C29H28ClF5N2O2.2CH3NO/c1-5-6-36-13-18-7-17(9-26(38-4)16(18)3)8-21(29(33,34)35)25-11-19-15(2)14-39-28(19)27(37-25)20-10-23(31)24(32)12-22(20)30;2*2-1-3/h7,9-13,15,21,36H,3,5-6,8,14H2,1-2,4H3;2*1H,(H2,2,3)/b18-13-;;.
What are the key properties of N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide?
N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide has a molecular weight of 657.08 g/mol, XLogP of 4.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[2-[7-(2-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]propan-1-amine;formamide is sourced from PubChem (CID 164910566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).