2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile

C19H18ClN5O — CID 11983570

IUPAC2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(-c3ccc(OC(C)C)cc3)c(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C19H18ClN5O/c1-11(2)26-14-6-4-13(5-7-14)15-9-17(23-19(20)16(15)10-21)22-18-8-12(3)24-25-18/h4-9,11H,1-3H3,(H2,22,23,24,25)
InChIKeyYOUSVEZQRWZMOB-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.84
Rot. Bonds5

About 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile

2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile (PubChem CID 11983570) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
PubChem CID11983570
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(-c3ccc(OC(C)C)cc3)c(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C19H18ClN5O/c1-11(2)26-14-6-4-13(5-7-14)15-9-17(23-19(20)16(15)10-21)22-18-8-12(3)24-25-18/h4-9,11H,1-3H3,(H2,22,23,24,25)
InChIKeyYOUSVEZQRWZMOB-UHFFFAOYSA-N
XLogP4.84
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile (CID 11983570) is 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile is Cc1cc(Nc2cc(-c3ccc(OC(C)C)cc3)c(C#N)c(Cl)n2)n[nH]1.
What is the InChIKey of 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YOUSVEZQRWZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-11(2)26-14-6-4-13(5-7-14)15-9-17(23-19(20)16(15)10-21)22-18-8-12(3)24-25-18/h4-9,11H,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile has a molecular weight of 367.84 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11983570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).