(5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one

C25H24Cl2N6O2 — CID 58278269

IUPAC(5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c4c(c3C)C(Cl)=CCC4)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C25H24Cl2N6O2/c1-11-9-29-18(13(3)21(11)35-4)10-33-23-20(22(27)31-25(28)32-23)14(24(33)34)8-17-12(2)19-15(26)6-5-7-16(19)30-17/h6,8-9,30H,5,7,10H2,1-4H3,(H2,28,31,32)/b14-8-
InChIKeyVCZAFTVTXYDIDI-ZSOIEALJSA-N
MW511.41 g/mol
LogP4.98
Rot. Bonds4

About (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one

(5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58278269) has the molecular formula C25H24Cl2N6O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name(5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58278269
Molecular FormulaC25H24Cl2N6O2
Molecular Weight511.41 g/mol
Exact Mass510.13
IUPAC Name(5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c4c(c3C)C(Cl)=CCC4)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C25H24Cl2N6O2/c1-11-9-29-18(13(3)21(11)35-4)10-33-23-20(22(27)31-25(28)32-23)14(24(33)34)8-17-12(2)19-15(26)6-5-7-16(19)30-17/h6,8-9,30H,5,7,10H2,1-4H3,(H2,28,31,32)/b14-8-
InChIKeyVCZAFTVTXYDIDI-ZSOIEALJSA-N
XLogP4.98
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.41
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one (CID 58278269) is (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one is COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c4c(c3C)C(Cl)=CCC4)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VCZAFTVTXYDIDI-ZSOIEALJSA-N. The full InChI is InChI=1S/C25H24Cl2N6O2/c1-11-9-29-18(13(3)21(11)35-4)10-33-23-20(22(27)31-25(28)32-23)14(24(33)34)8-17-12(2)19-15(26)6-5-7-16(19)30-17/h6,8-9,30H,5,7,10H2,1-4H3,(H2,28,31,32)/b14-8-.
What are the key properties of (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?
(5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 511.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-4-chloro-5-[(4-chloro-3-methyl-6,7-dihydro-1H-indol-2-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58278269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).