4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine

C12H12N6 — CID 24971381

IUPAC4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(N2CCc3nc[nH]c3C2)c2cc[nH]c2n1
InChIInChI=1S/C12H12N6/c1-3-13-11-8(1)12(17-7-16-11)18-4-2-9-10(5-18)15-6-14-9/h1,3,6-7H,2,4-5H2,(H,14,15)(H,13,16,17)
InChIKeyRNQMCOZOSONNRJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.24
Rot. Bonds1

About 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 24971381) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID24971381
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(N2CCc3nc[nH]c3C2)c2cc[nH]c2n1
InChIInChI=1S/C12H12N6/c1-3-13-11-8(1)12(17-7-16-11)18-4-2-9-10(5-18)15-6-14-9/h1,3,6-7H,2,4-5H2,(H,14,15)(H,13,16,17)
InChIKeyRNQMCOZOSONNRJ-UHFFFAOYSA-N
XLogP1.24
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 24971381) is 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine is c1nc(N2CCc3nc[nH]c3C2)c2cc[nH]c2n1.
What is the InChIKey of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is RNQMCOZOSONNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-3-13-11-8(1)12(17-7-16-11)18-4-2-9-10(5-18)15-6-14-9/h1,3,6-7H,2,4-5H2,(H,14,15)(H,13,16,17).
What are the key properties of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 240.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 24971381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).