2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C16H23FN6 — CID 56916510

IUPAC2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1[nH]cnc1CN1CCn2nc(CN3CC[C@H](F)C3)cc2C1
InChIInChI=1S/C16H23FN6/c1-12-16(19-11-18-12)10-22-4-5-23-15(9-22)6-14(20-23)8-21-3-2-13(17)7-21/h6,11,13H,2-5,7-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyRFLAATPVVTWBDS-ZDUSSCGKSA-N
MW318.40 g/mol
LogP1.47
Rot. Bonds4

About 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 56916510) has the molecular formula C16H23FN6 and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID56916510
Molecular FormulaC16H23FN6
Molecular Weight318.40 g/mol
Exact Mass318.20
IUPAC Name2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1[nH]cnc1CN1CCn2nc(CN3CC[C@H](F)C3)cc2C1
InChIInChI=1S/C16H23FN6/c1-12-16(19-11-18-12)10-22-4-5-23-15(9-22)6-14(20-23)8-21-3-2-13(17)7-21/h6,11,13H,2-5,7-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyRFLAATPVVTWBDS-ZDUSSCGKSA-N
XLogP1.47
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 56916510) is 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1[nH]cnc1CN1CCn2nc(CN3CC[C@H](F)C3)cc2C1.
What is the InChIKey of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is RFLAATPVVTWBDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23FN6/c1-12-16(19-11-18-12)10-22-4-5-23-15(9-22)6-14(20-23)8-21-3-2-13(17)7-21/h6,11,13H,2-5,7-10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 318.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-[(5-methyl-1H-imidazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56916510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).