3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine

C19H16N8 — CID 168773734

IUPAC3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESCn1cc(-c2ncnc3[nH]cc(-c4ccn5ncc(C6CC6)c5n4)c23)cn1
InChIInChI=1S/C19H16N8/c1-26-9-12(6-23-26)17-16-14(7-20-18(16)22-10-21-17)15-4-5-27-19(25-15)13(8-24-27)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,21,22)
InChIKeyXXEMMRKPPDAAFI-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.95
Rot. Bonds3

About 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine

3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 168773734) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID168773734
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESCn1cc(-c2ncnc3[nH]cc(-c4ccn5ncc(C6CC6)c5n4)c23)cn1
InChIInChI=1S/C19H16N8/c1-26-9-12(6-23-26)17-16-14(7-20-18(16)22-10-21-17)15-4-5-27-19(25-15)13(8-24-27)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,21,22)
InChIKeyXXEMMRKPPDAAFI-UHFFFAOYSA-N
XLogP2.95
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
CID 168772951
2-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzothiazole
CID 168774160
N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773049
4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
CID 168926736
4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706837
3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 175889018
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
[4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexyl]-piperazin-1-ylmethanone
CID 168926548
5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 126663630
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167612656
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066719
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine (CID 168773734) is 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine is Cn1cc(-c2ncnc3[nH]cc(-c4ccn5ncc(C6CC6)c5n4)c23)cn1.
What is the InChIKey of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is XXEMMRKPPDAAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-26-9-12(6-23-26)17-16-14(7-20-18(16)22-10-21-17)15-4-5-27-19(25-15)13(8-24-27)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,21,22).
What are the key properties of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine?
3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 356.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 168773734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).