N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine

C18H19FN8O — CID 25116190

IUPACN-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine
SMILESCC(C)Oc1cc(-n2cnc3cnc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-14-8-21-18(24-17(14)27)23-11(3)13-5-4-12(19)7-20-13/h4-11H,1-3H3,(H,25,26)(H,21,23,24)/t11-/m0/s1
InChIKeyGANJDQFGELQYIJ-NSHDSACASA-N
MW382.40 g/mol
LogP3.03
Rot. Bonds6

About N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine

N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine (PubChem CID 25116190) has the molecular formula C18H19FN8O and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine
PubChem CID25116190
Molecular FormulaC18H19FN8O
Molecular Weight382.40 g/mol
Exact Mass382.17
IUPAC NameN-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine
SMILESCC(C)Oc1cc(-n2cnc3cnc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-14-8-21-18(24-17(14)27)23-11(3)13-5-4-12(19)7-20-13/h4-11H,1-3H3,(H,25,26)(H,21,23,24)/t11-/m0/s1
InChIKeyGANJDQFGELQYIJ-NSHDSACASA-N
XLogP3.03
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine?
The IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine (CID 25116190) is N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine is CC(C)Oc1cc(-n2cnc3cnc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine?
The InChIKey is GANJDQFGELQYIJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-14-8-21-18(24-17(14)27)23-11(3)13-5-4-12(19)7-20-13/h4-11H,1-3H3,(H,25,26)(H,21,23,24)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine?
N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine has a molecular weight of 382.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-9-(3-propan-2-yloxy-1H-pyrazol-5-yl)purin-2-amine is sourced from PubChem (CID 25116190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).