6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H11F2N5O — CID 2961937

IUPAC6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2C1c1cc(F)ccc1F
InChIInChI=1S/C18H11F2N5O/c19-10-3-4-13(20)11(6-10)14-12(7-21)17(22)26-18-15(14)16(24-25-18)9-2-1-5-23-8-9/h1-6,8,14H,22H2,(H,24,25)
InChIKeyUEMBBWKCSUFXOB-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.97
Rot. Bonds2

About 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2961937) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2961937
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2C1c1cc(F)ccc1F
InChIInChI=1S/C18H11F2N5O/c19-10-3-4-13(20)11(6-10)14-12(7-21)17(22)26-18-15(14)16(24-25-18)9-2-1-5-23-8-9/h1-6,8,14H,22H2,(H,24,25)
InChIKeyUEMBBWKCSUFXOB-UHFFFAOYSA-N
XLogP2.97
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2961937) is 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2C1c1cc(F)ccc1F.
What is the InChIKey of 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is UEMBBWKCSUFXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-10-3-4-13(20)11(6-10)14-12(7-21)17(22)26-18-15(14)16(24-25-18)9-2-1-5-23-8-9/h1-6,8,14H,22H2,(H,24,25).
What are the key properties of 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 351.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2961937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).