4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde

C25H23N5O2S — CID 88915074

IUPAC4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde
SMILESCc1nn(C2CCC(C=O)CC2)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12
InChIInChI=1S/C25H23N5O2S/c1-14-20(11-30(29-14)16-4-2-15(12-31)3-5-16)19-9-28-25(26)24-18(19)8-22(32-24)21-13-33-23-10-27-7-6-17(21)23/h6-13,15-16H,2-5H2,1H3,(H2,26,28)
InChIKeyAIQFQJLWPPSSPB-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.79
Rot. Bonds4

About 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde

4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde (PubChem CID 88915074) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde
PubChem CID88915074
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC Name4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde
SMILESCc1nn(C2CCC(C=O)CC2)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12
InChIInChI=1S/C25H23N5O2S/c1-14-20(11-30(29-14)16-4-2-15(12-31)3-5-16)19-9-28-25(26)24-18(19)8-22(32-24)21-13-33-23-10-27-7-6-17(21)23/h6-13,15-16H,2-5H2,1H3,(H2,26,28)
InChIKeyAIQFQJLWPPSSPB-UHFFFAOYSA-N
XLogP5.79
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde (CID 88915074) is 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde is Cc1nn(C2CCC(C=O)CC2)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12.
What is the InChIKey of 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde?
The InChIKey is AIQFQJLWPPSSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-14-20(11-30(29-14)16-4-2-15(12-31)3-5-16)19-9-28-25(26)24-18(19)8-22(32-24)21-13-33-23-10-27-7-6-17(21)23/h6-13,15-16H,2-5H2,1H3,(H2,26,28).
What are the key properties of 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde?
4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde has a molecular weight of 457.56 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88915074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).