5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C18H18N8O — CID 166147969

IUPAC5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ncccc3O[C@@H]3CC[C@H](N)C3)[nH]n2)cn1
InChIInChI=1S/C18H18N8O/c19-8-12-9-23-17(10-22-12)24-16-7-14(25-26-16)18-15(2-1-5-21-18)27-13-4-3-11(20)6-13/h1-2,5,7,9-11,13H,3-4,6,20H2,(H2,23,24,25,26)/t11-,13+/m0/s1
InChIKeyINWQVFITQHPYGY-WCQYABFASA-N
MW362.40 g/mol
LogP2.14
Rot. Bonds5

About 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 166147969) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID166147969
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ncccc3O[C@@H]3CC[C@H](N)C3)[nH]n2)cn1
InChIInChI=1S/C18H18N8O/c19-8-12-9-23-17(10-22-12)24-16-7-14(25-26-16)18-15(2-1-5-21-18)27-13-4-3-11(20)6-13/h1-2,5,7,9-11,13H,3-4,6,20H2,(H2,23,24,25,26)/t11-,13+/m0/s1
InChIKeyINWQVFITQHPYGY-WCQYABFASA-N
XLogP2.14
TPSA138.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 166147969) is 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3ncccc3O[C@@H]3CC[C@H](N)C3)[nH]n2)cn1.
What is the InChIKey of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is INWQVFITQHPYGY-WCQYABFASA-N. The full InChI is InChI=1S/C18H18N8O/c19-8-12-9-23-17(10-22-12)24-16-7-14(25-26-16)18-15(2-1-5-21-18)27-13-4-3-11(20)6-13/h1-2,5,7,9-11,13H,3-4,6,20H2,(H2,23,24,25,26)/t11-,13+/m0/s1.
What are the key properties of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 362.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166147969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).