6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C22H17N7O — CID 135133018

IUPAC6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(Cc3ccccn3)c2C1c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H17N7O/c23-12-17-19(14-4-6-16(7-5-14)29-10-9-25-13-29)20-18(11-15-3-1-2-8-26-15)27-28-22(20)30-21(17)24/h1-10,13,19H,11,24H2,(H,27,28)
InChIKeyABRQBKZKPQTHNV-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.80
Rot. Bonds4

About 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 135133018) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID135133018
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(Cc3ccccn3)c2C1c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H17N7O/c23-12-17-19(14-4-6-16(7-5-14)29-10-9-25-13-29)20-18(11-15-3-1-2-8-26-15)27-28-22(20)30-21(17)24/h1-10,13,19H,11,24H2,(H,27,28)
InChIKeyABRQBKZKPQTHNV-UHFFFAOYSA-N
XLogP2.80
TPSA118.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 135133018) is 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(Cc3ccccn3)c2C1c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ABRQBKZKPQTHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c23-12-17-19(14-4-6-16(7-5-14)29-10-9-25-13-29)20-18(11-15-3-1-2-8-26-15)27-28-22(20)30-21(17)24/h1-10,13,19H,11,24H2,(H,27,28).
What are the key properties of 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 395.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 135133018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).