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

C16H17N5O — CID 171987333

IUPAC5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(c1cccnc1)C(N)=C(C#N)O2
InChIInChI=1S/C16H17N5O/c1-16(2,3)14-12-11(9-5-4-6-19-8-9)13(18)10(7-17)22-15(12)21-20-14/h4-6,8,11H,18H2,1-3H3,(H,20,21)
InChIKeyHCIBKMBPOMLJGJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.32
Rot. Bonds1

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

5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile (PubChem CID 171987333) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile.

Molecular Properties

Compound Name5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile
PubChem CID171987333
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(c1cccnc1)C(N)=C(C#N)O2
InChIInChI=1S/C16H17N5O/c1-16(2,3)14-12-11(9-5-4-6-19-8-9)13(18)10(7-17)22-15(12)21-20-14/h4-6,8,11H,18H2,1-3H3,(H,20,21)
InChIKeyHCIBKMBPOMLJGJ-UHFFFAOYSA-N
XLogP2.32
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-amino-4-pyridin-3-yl-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 676000
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130
(4S)-6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 728973
(4S)-6-amino-3-tert-butyl-4-(2-chlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 701596
(4S)-6-amino-3-tert-butyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 701585
6-amino-3-tert-butyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155429
(4R)-6-amino-3-tert-butyl-4-(2,6-difluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 947770
(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile
CID 703560
6-amino-3-tert-butyl-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2865586
6-amino-3-tert-butyl-4-(3-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2865476
(4S)-6-amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1002419
(4R)-6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6546788

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile?
The IUPAC name of 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile (CID 171987333) is 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile.
What is the SMILES notation for 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile?
The canonical SMILES for 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile is CC(C)(C)c1[nH]nc2c1C(c1cccnc1)C(N)=C(C#N)O2.
What is the InChIKey of 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile?
The InChIKey is HCIBKMBPOMLJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2,3)14-12-11(9-5-4-6-19-8-9)13(18)10(7-17)22-15(12)21-20-14/h4-6,8,11H,18H2,1-3H3,(H,20,21).
What are the key properties of 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile?
5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-6-carbonitrile is sourced from PubChem (CID 171987333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).