N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine

C18H24FN7O — CID 171838774

IUPACN-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine
SMILESCc1nc2ncc(Nc3cc(CC(C)F)[nH]n3)nc2n1CC1CCOCC1
InChIInChI=1S/C18H24FN7O/c1-11(19)7-14-8-15(25-24-14)22-16-9-20-17-18(23-16)26(12(2)21-17)10-13-3-5-27-6-4-13/h8-9,11,13H,3-7,10H2,1-2H3,(H2,22,23,24,25)
InChIKeyJXXFFTYMBJSOPK-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.93
Rot. Bonds6

About N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine

N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine (PubChem CID 171838774) has the molecular formula C18H24FN7O and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine
PubChem CID171838774
Molecular FormulaC18H24FN7O
Molecular Weight373.44 g/mol
Exact Mass373.20
IUPAC NameN-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine
SMILESCc1nc2ncc(Nc3cc(CC(C)F)[nH]n3)nc2n1CC1CCOCC1
InChIInChI=1S/C18H24FN7O/c1-11(19)7-14-8-15(25-24-14)22-16-9-20-17-18(23-16)26(12(2)21-17)10-13-3-5-27-6-4-13/h8-9,11,13H,3-7,10H2,1-2H3,(H2,22,23,24,25)
InChIKeyJXXFFTYMBJSOPK-UHFFFAOYSA-N
XLogP2.93
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine?
The IUPAC name of N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine (CID 171838774) is N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine.
What is the SMILES notation for N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine?
The canonical SMILES for N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine is Cc1nc2ncc(Nc3cc(CC(C)F)[nH]n3)nc2n1CC1CCOCC1.
What is the InChIKey of N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine?
The InChIKey is JXXFFTYMBJSOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN7O/c1-11(19)7-14-8-15(25-24-14)22-16-9-20-17-18(23-16)26(12(2)21-17)10-13-3-5-27-6-4-13/h8-9,11,13H,3-7,10H2,1-2H3,(H2,22,23,24,25).
What are the key properties of N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine?
N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine has a molecular weight of 373.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine is sourced from PubChem (CID 171838774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).