1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H18N6O — CID 171406471

IUPAC1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCOCC1
InChIInChI=1S/C18H18N6O/c1-12-9-20-17(7-16(12)23-15-2-4-25-5-3-15)24-18-14(11-22-24)6-13(8-19)10-21-18/h6-7,9-11,15H,2-5H2,1H3,(H,20,23)
InChIKeyYDIRUUMANJZKPG-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.59
Rot. Bonds3

About 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 171406471) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID171406471
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCOCC1
InChIInChI=1S/C18H18N6O/c1-12-9-20-17(7-16(12)23-15-2-4-25-5-3-15)24-18-14(11-22-24)6-13(8-19)10-21-18/h6-7,9-11,15H,2-5H2,1H3,(H,20,23)
InChIKeyYDIRUUMANJZKPG-UHFFFAOYSA-N
XLogP2.59
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 171406471) is 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCOCC1.
What is the InChIKey of 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is YDIRUUMANJZKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-9-20-17(7-16(12)23-15-2-4-25-5-3-15)24-18-14(11-22-24)6-13(8-19)10-21-18/h6-7,9-11,15H,2-5H2,1H3,(H,20,23).
What are the key properties of 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 171406471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).