2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile

C21H23N5O2 — CID 56876978

IUPAC2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile
SMILESCc1n[nH]c(C)c1-c1cc(-c2ccc(OC(C)C)c(CO)c2)c(C#N)c(N)n1
InChIInChI=1S/C21H23N5O2/c1-11(2)28-19-6-5-14(7-15(19)10-27)16-8-18(24-21(23)17(16)9-22)20-12(3)25-26-13(20)4/h5-8,11,27H,10H2,1-4H3,(H2,23,24)(H,25,26)
InChIKeyQCAHARYTFUTNOZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.49
Rot. Bonds5

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

2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile (PubChem CID 56876978) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile
PubChem CID56876978
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile
SMILESCc1n[nH]c(C)c1-c1cc(-c2ccc(OC(C)C)c(CO)c2)c(C#N)c(N)n1
InChIInChI=1S/C21H23N5O2/c1-11(2)28-19-6-5-14(7-15(19)10-27)16-8-18(24-21(23)17(16)9-22)20-12(3)25-26-13(20)4/h5-8,11,27H,10H2,1-4H3,(H2,23,24)(H,25,26)
InChIKeyQCAHARYTFUTNOZ-UHFFFAOYSA-N
XLogP3.49
TPSA120.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile (CID 56876978) is 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile is Cc1n[nH]c(C)c1-c1cc(-c2ccc(OC(C)C)c(CO)c2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile?
The InChIKey is QCAHARYTFUTNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-11(2)28-19-6-5-14(7-15(19)10-27)16-8-18(24-21(23)17(16)9-22)20-12(3)25-26-13(20)4/h5-8,11,27H,10H2,1-4H3,(H2,23,24)(H,25,26).
What are the key properties of 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile?
2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 56876978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).