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

C20H20N6 — CID 58485729

IUPAC3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(Cc3cnc(Cc4cc(C5CC5)n[nH]4)nc3)c2c1
InChIInChI=1S/C20H20N6/c1-12-4-17-15(11-24-20(17)23-8-12)5-13-9-21-19(22-10-13)7-16-6-18(26-25-16)14-2-3-14/h4,6,8-11,14H,2-3,5,7H2,1H3,(H,23,24)(H,25,26)
InChIKeyWCRSHDGLFOJWJA-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.44
Rot. Bonds5

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

3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58485729) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58485729
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(Cc3cnc(Cc4cc(C5CC5)n[nH]4)nc3)c2c1
InChIInChI=1S/C20H20N6/c1-12-4-17-15(11-24-20(17)23-8-12)5-13-9-21-19(22-10-13)7-16-6-18(26-25-16)14-2-3-14/h4,6,8-11,14H,2-3,5,7H2,1H3,(H,23,24)(H,25,26)
InChIKeyWCRSHDGLFOJWJA-UHFFFAOYSA-N
XLogP3.44
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 58485729) is 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]cc(Cc3cnc(Cc4cc(C5CC5)n[nH]4)nc3)c2c1.
What is the InChIKey of 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WCRSHDGLFOJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-12-4-17-15(11-24-20(17)23-8-12)5-13-9-21-19(22-10-13)7-16-6-18(26-25-16)14-2-3-14/h4,6,8-11,14H,2-3,5,7H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 344.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58485729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).