9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine

C18H19N7 — CID 150054628

IUPAC9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine
SMILESCC(C)Cn1c(-n2cccn2)nc2cnc(Cc3cccnc3)nc21
InChIInChI=1S/C18H19N7/c1-13(2)12-24-17-15(22-18(24)25-8-4-7-21-25)11-20-16(23-17)9-14-5-3-6-19-10-14/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyDMAHTKLMVUFLDJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.65
Rot. Bonds5

About 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine

9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine (PubChem CID 150054628) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine.

Molecular Properties

Compound Name9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine
PubChem CID150054628
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine
SMILESCC(C)Cn1c(-n2cccn2)nc2cnc(Cc3cccnc3)nc21
InChIInChI=1S/C18H19N7/c1-13(2)12-24-17-15(22-18(24)25-8-4-7-21-25)11-20-16(23-17)9-14-5-3-6-19-10-14/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyDMAHTKLMVUFLDJ-UHFFFAOYSA-N
XLogP2.65
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine
CID 150462556
2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737125
N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770847
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742
9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 23503405
N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one
CID 126474949
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
CID 60648991

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine?
The IUPAC name of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine (CID 150054628) is 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine.
What is the SMILES notation for 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine?
The canonical SMILES for 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine is CC(C)Cn1c(-n2cccn2)nc2cnc(Cc3cccnc3)nc21.
What is the InChIKey of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine?
The InChIKey is DMAHTKLMVUFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-13(2)12-24-17-15(22-18(24)25-8-4-7-21-25)11-20-16(23-17)9-14-5-3-6-19-10-14/h3-8,10-11,13H,9,12H2,1-2H3.
What are the key properties of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine?
9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine has a molecular weight of 333.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine is sourced from PubChem (CID 150054628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).