2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile

C19H19N9O — CID 130339283

IUPAC2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)cn2)C1
InChIInChI=1S/C19H19N9O/c1-29-13-7-19(8-13,3-4-20)28-10-12(9-23-28)18-16-2-5-22-27(16)11-15(24-18)14-6-17(21)26-25-14/h2,5-6,9-11,13H,3,7-8H2,1H3,(H3,21,25,26)
InChIKeyGUKVYGJJKLTNBV-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.98
Rot. Bonds5

About 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile

2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile (PubChem CID 130339283) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
PubChem CID130339283
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)cn2)C1
InChIInChI=1S/C19H19N9O/c1-29-13-7-19(8-13,3-4-20)28-10-12(9-23-28)18-16-2-5-22-27(16)11-15(24-18)14-6-17(21)26-25-14/h2,5-6,9-11,13H,3,7-8H2,1H3,(H3,21,25,26)
InChIKeyGUKVYGJJKLTNBV-UHFFFAOYSA-N
XLogP1.98
TPSA135.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile (CID 130339283) is 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile is COC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)cn2)C1.
What is the InChIKey of 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The InChIKey is GUKVYGJJKLTNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c1-29-13-7-19(8-13,3-4-20)28-10-12(9-23-28)18-16-2-5-22-27(16)11-15(24-18)14-6-17(21)26-25-14/h2,5-6,9-11,13H,3,7-8H2,1H3,(H3,21,25,26).
What are the key properties of 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile has a molecular weight of 389.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile is sourced from PubChem (CID 130339283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).