2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile

C17H15FN8 — CID 78320040

IUPAC2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cn[nH]c3)n2)cnc1N1CC[C@H](F)C1
InChIInChI=1S/C17H15FN8/c18-13-2-4-26(10-13)16-11(6-19)5-12(7-21-16)15-1-3-20-17(25-15)24-14-8-22-23-9-14/h1,3,5,7-9,13H,2,4,10H2,(H,22,23)(H,20,24,25)/t13-/m0/s1
InChIKeyDWLBQUJIEDHAIM-ZDUSSCGKSA-N
MW350.36 g/mol
LogP2.43
Rot. Bonds4

About 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile

2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 78320040) has the molecular formula C17H15FN8 and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID78320040
Molecular FormulaC17H15FN8
Molecular Weight350.36 g/mol
Exact Mass350.14
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cn[nH]c3)n2)cnc1N1CC[C@H](F)C1
InChIInChI=1S/C17H15FN8/c18-13-2-4-26(10-13)16-11(6-19)5-12(7-21-16)15-1-3-20-17(25-15)24-14-8-22-23-9-14/h1,3,5,7-9,13H,2,4,10H2,(H,22,23)(H,20,24,25)/t13-/m0/s1
InChIKeyDWLBQUJIEDHAIM-ZDUSSCGKSA-N
XLogP2.43
TPSA106.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile (CID 78320040) is 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile is N#Cc1cc(-c2ccnc(Nc3cn[nH]c3)n2)cnc1N1CC[C@H](F)C1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is DWLBQUJIEDHAIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15FN8/c18-13-2-4-26(10-13)16-11(6-19)5-12(7-21-16)15-1-3-20-17(25-15)24-14-8-22-23-9-14/h1,3,5,7-9,13H,2,4,10H2,(H,22,23)(H,20,24,25)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile?
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 350.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78320040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).