4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C23H25N9 — CID 67041077

IUPAC4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)n1cc(-c2cnc3[nH]cc(-c4cc(CCCn5ccnc5)nc(N)n4)c3c2)cn1
InChIInChI=1S/C23H25N9/c1-15(2)32-13-17(11-28-32)16-8-19-20(12-27-22(19)26-10-16)21-9-18(29-23(24)30-21)4-3-6-31-7-5-25-14-31/h5,7-15H,3-4,6H2,1-2H3,(H,26,27)(H2,24,29,30)
InChIKeyGLBGEHCIJFJNCJ-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.88
Rot. Bonds7

About 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 67041077) has the molecular formula C23H25N9 and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID67041077
Molecular FormulaC23H25N9
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC Name4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)n1cc(-c2cnc3[nH]cc(-c4cc(CCCn5ccnc5)nc(N)n4)c3c2)cn1
InChIInChI=1S/C23H25N9/c1-15(2)32-13-17(11-28-32)16-8-19-20(12-27-22(19)26-10-16)21-9-18(29-23(24)30-21)4-3-6-31-7-5-25-14-31/h5,7-15H,3-4,6H2,1-2H3,(H,26,27)(H2,24,29,30)
InChIKeyGLBGEHCIJFJNCJ-UHFFFAOYSA-N
XLogP3.88
TPSA116.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 67041077) is 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CC(C)n1cc(-c2cnc3[nH]cc(-c4cc(CCCn5ccnc5)nc(N)n4)c3c2)cn1.
What is the InChIKey of 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is GLBGEHCIJFJNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9/c1-15(2)32-13-17(11-28-32)16-8-19-20(12-27-22(19)26-10-16)21-9-18(29-23(24)30-21)4-3-6-31-7-5-25-14-31/h5,7-15H,3-4,6H2,1-2H3,(H,26,27)(H2,24,29,30).
What are the key properties of 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 427.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 67041077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).