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

C18H13N5O — CID 652120

IUPAC6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1cccnc1
InChIInChI=1S/C18H13N5O/c19-9-13-14(12-7-4-8-21-10-12)15-16(11-5-2-1-3-6-11)22-23-18(15)24-17(13)20/h1-8,10,14H,20H2,(H,22,23)
InChIKeyBFLMIRAYBVAULU-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.69
Rot. Bonds2

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

6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 652120) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID652120
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1cccnc1
InChIInChI=1S/C18H13N5O/c19-9-13-14(12-7-4-8-21-10-12)15-16(11-5-2-1-3-6-11)22-23-18(15)24-17(13)20/h1-8,10,14H,20H2,(H,22,23)
InChIKeyBFLMIRAYBVAULU-UHFFFAOYSA-N
XLogP2.69
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 652120) is 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1cccnc1.
What is the InChIKey of 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is BFLMIRAYBVAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-9-13-14(12-7-4-8-21-10-12)15-16(11-5-2-1-3-6-11)22-23-18(15)24-17(13)20/h1-8,10,14H,20H2,(H,22,23).
What are the key properties of 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 315.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-phenyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 652120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).