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

C20H14N8O — CID 135133337

IUPAC6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cncnc3)c2C1c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H14N8O/c21-7-15-16(12-1-3-14(4-2-12)28-6-5-23-11-28)17-18(13-8-24-10-25-9-13)26-27-20(17)29-19(15)22/h1-6,8-11,16H,22H2,(H,26,27)
InChIKeyFAWJETNEDDEJSK-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.27
Rot. Bonds3

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

6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 135133337) has the molecular formula C20H14N8O and a molecular weight of 382.39 g/mol. Its IUPAC name is 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID135133337
Molecular FormulaC20H14N8O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cncnc3)c2C1c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H14N8O/c21-7-15-16(12-1-3-14(4-2-12)28-6-5-23-11-28)17-18(13-8-24-10-25-9-13)26-27-20(17)29-19(15)22/h1-6,8-11,16H,22H2,(H,26,27)
InChIKeyFAWJETNEDDEJSK-UHFFFAOYSA-N
XLogP2.27
TPSA131.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 135133337) is 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3cncnc3)c2C1c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is FAWJETNEDDEJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8O/c21-7-15-16(12-1-3-14(4-2-12)28-6-5-23-11-28)17-18(13-8-24-10-25-9-13)26-27-20(17)29-19(15)22/h1-6,8-11,16H,22H2,(H,26,27).
What are the key properties of 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 382.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 135133337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).