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

C20H17N5O3 — CID 2961936

IUPAC6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cc(OC)cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)c1
InChIInChI=1S/C20H17N5O3/c1-26-13-6-12(7-14(8-13)27-2)16-15(9-21)19(22)28-20-17(16)18(24-25-20)11-4-3-5-23-10-11/h3-8,10,16H,22H2,1-2H3,(H,24,25)
InChIKeyNXQURLNDKRLTJL-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.71
Rot. Bonds4

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

6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2961936) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2961936
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cc(OC)cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)c1
InChIInChI=1S/C20H17N5O3/c1-26-13-6-12(7-14(8-13)27-2)16-15(9-21)19(22)28-20-17(16)18(24-25-20)11-4-3-5-23-10-11/h3-8,10,16H,22H2,1-2H3,(H,24,25)
InChIKeyNXQURLNDKRLTJL-UHFFFAOYSA-N
XLogP2.71
TPSA119.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2961936) is 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1cc(OC)cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)c1.
What is the InChIKey of 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NXQURLNDKRLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-26-13-6-12(7-14(8-13)27-2)16-15(9-21)19(22)28-20-17(16)18(24-25-20)11-4-3-5-23-10-11/h3-8,10,16H,22H2,1-2H3,(H,24,25).
What are the key properties of 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 375.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3,5-dimethoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2961936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).