4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine

C16H14N6 — CID 143489102

IUPAC4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1nn(-c2ccnc3[nH]ccc23)cc1Cc1cncnc1
InChIInChI=1S/C16H14N6/c1-11-13(6-12-7-17-10-18-8-12)9-22(21-11)15-3-5-20-16-14(15)2-4-19-16/h2-5,7-10H,6H2,1H3,(H,19,20)
InChIKeyVEEYRNCEMGIYGN-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.44
Rot. Bonds3

About 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143489102) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID143489102
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1nn(-c2ccnc3[nH]ccc23)cc1Cc1cncnc1
InChIInChI=1S/C16H14N6/c1-11-13(6-12-7-17-10-18-8-12)9-22(21-11)15-3-5-20-16-14(15)2-4-19-16/h2-5,7-10H,6H2,1H3,(H,19,20)
InChIKeyVEEYRNCEMGIYGN-UHFFFAOYSA-N
XLogP2.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 163546813
4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 118056000
3-[3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 175719041
4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44625835
4-(4-ethyl-3-methylpyrazol-1-yl)quinoline
CID 139907310
4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 118078364
N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide
CID 126663627
4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
CID 19916805
4-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 151444691
4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 162761011
[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol
CID 57480641
methyl 3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzoate
CID 57477704

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (CID 143489102) is 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1nn(-c2ccnc3[nH]ccc23)cc1Cc1cncnc1.
What is the InChIKey of 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VEEYRNCEMGIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-11-13(6-12-7-17-10-18-8-12)9-22(21-11)15-3-5-20-16-14(15)2-4-19-16/h2-5,7-10H,6H2,1H3,(H,19,20).
What are the key properties of 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 290.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143489102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).