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(Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide

C30H28ClF2N5O6 — CID 154927879

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
SMILESCNc1c(C(=O)c2c(F)c(OC)cc(OC)c2F)oc2cnc(Nc3ccc(N4CCOCC4)cc3NC(=O)/C=C\Cl)cc12
InChIInChI=1S/C30H28ClF2N5O6/c1-34-28-17-13-23(36-18-5-4-16(38-8-10-43-11-9-38)12-19(18)37-24(39)6-7-31)35-15-22(17)44-30(28)29(40)25-26(32)20(41-2)14-21(42-3)27(25)33/h4-7,12-15,34H,8-11H2,1-3H3,(H,35,36)(H,37,39)/b7-6-
InChIKeyXWNXQRSJZGNYCR-SREVYHEPSA-N
MW628.03 g/mol
LogP5.67
Rot. Bonds10

About (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide

(Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide (PubChem CID 154927879) has the molecular formula C30H28ClF2N5O6 and a molecular weight of 628.03 g/mol. Its IUPAC name is (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
PubChem CID154927879
Molecular FormulaC30H28ClF2N5O6
Molecular Weight628.03 g/mol
Exact Mass627.17
IUPAC Name(Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
SMILESCNc1c(C(=O)c2c(F)c(OC)cc(OC)c2F)oc2cnc(Nc3ccc(N4CCOCC4)cc3NC(=O)/C=C\Cl)cc12
InChIInChI=1S/C30H28ClF2N5O6/c1-34-28-17-13-23(36-18-5-4-16(38-8-10-43-11-9-38)12-19(18)37-24(39)6-7-31)35-15-22(17)44-30(28)29(40)25-26(32)20(41-2)14-21(42-3)27(25)33/h4-7,12-15,34H,8-11H2,1-3H3,(H,35,36)(H,37,39)/b7-6-
InChIKeyXWNXQRSJZGNYCR-SREVYHEPSA-N
XLogP5.67
TPSA127.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.03
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?
The IUPAC name of (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide (CID 154927879) is (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide is CNc1c(C(=O)c2c(F)c(OC)cc(OC)c2F)oc2cnc(Nc3ccc(N4CCOCC4)cc3NC(=O)/C=C\Cl)cc12.
What is the InChIKey of (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?
The InChIKey is XWNXQRSJZGNYCR-SREVYHEPSA-N. The full InChI is InChI=1S/C30H28ClF2N5O6/c1-34-28-17-13-23(36-18-5-4-16(38-8-10-43-11-9-38)12-19(18)37-24(39)6-7-31)35-15-22(17)44-30(28)29(40)25-26(32)20(41-2)14-21(42-3)27(25)33/h4-7,12-15,34H,8-11H2,1-3H3,(H,35,36)(H,37,39)/b7-6-.
What are the key properties of (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide?
(Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide has a molecular weight of 628.03 g/mol, XLogP of 5.67, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N-[2-[[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-3-(methylamino)furo[2,3-c]pyridin-5-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide is sourced from PubChem (CID 154927879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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