methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate

C19H27N5O2 — CID 118961929

IUPACmethyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cnn(C2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C19H27N5O2/c1-13(2)23-9-6-15(7-10-23)24-14(3)17(12-21-24)22-18-11-20-8-5-16(18)19(25)26-4/h5,8,11-13,15,22H,6-7,9-10H2,1-4H3
InChIKeyCMKWJJDBJHGXOR-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.16
Rot. Bonds5

About methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate

methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate (PubChem CID 118961929) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
PubChem CID118961929
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Namemethyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cnn(C2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C19H27N5O2/c1-13(2)23-9-6-15(7-10-23)24-14(3)17(12-21-24)22-18-11-20-8-5-16(18)19(25)26-4/h5,8,11-13,15,22H,6-7,9-10H2,1-4H3
InChIKeyCMKWJJDBJHGXOR-UHFFFAOYSA-N
XLogP3.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate (CID 118961929) is methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cnn(C2CCN(C(C)C)CC2)c1C.
What is the InChIKey of methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is CMKWJJDBJHGXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)23-9-6-15(7-10-23)24-14(3)17(12-21-24)22-18-11-20-8-5-16(18)19(25)26-4/h5,8,11-13,15,22H,6-7,9-10H2,1-4H3.
What are the key properties of methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118961929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).