N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide

C18H22FN5O — CID 118790699

IUPACN-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(c1ccncc1F)C2)C1CCCC1
InChIInChI=1S/C18H22FN5O/c19-16-11-20-6-5-17(16)23-7-8-24-15(12-23)9-14(22-24)10-21-18(25)13-3-1-2-4-13/h5-6,9,11,13H,1-4,7-8,10,12H2,(H,21,25)
InChIKeyXVDMPZQWMKQVOX-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.24
Rot. Bonds4

About N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide

N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 118790699) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
PubChem CID118790699
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC NameN-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(c1ccncc1F)C2)C1CCCC1
InChIInChI=1S/C18H22FN5O/c19-16-11-20-6-5-17(16)23-7-8-24-15(12-23)9-14(22-24)10-21-18(25)13-3-1-2-4-13/h5-6,9,11,13H,1-4,7-8,10,12H2,(H,21,25)
InChIKeyXVDMPZQWMKQVOX-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide (CID 118790699) is N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide is O=C(NCc1cc2n(n1)CCN(c1ccncc1F)C2)C1CCCC1.
What is the InChIKey of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is XVDMPZQWMKQVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-16-11-20-6-5-17(16)23-7-8-24-15(12-23)9-14(22-24)10-21-18(25)13-3-1-2-4-13/h5-6,9,11,13H,1-4,7-8,10,12H2,(H,21,25).
What are the key properties of N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 118790699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).