formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine

C22H27N5O2 — CID 145048578

IUPACformic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine
SMILESCc1ccncc1Nc1nn(C2CCN(C)CC2)cc1-c1ccccc1.O=CO
InChIInChI=1S/C21H25N5.CH2O2/c1-16-8-11-22-14-20(16)23-21-19(17-6-4-3-5-7-17)15-26(24-21)18-9-12-25(2)13-10-18;2-1-3/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,23,24);1H,(H,2,3)
InChIKeyUDRZAXVXAWTYIN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.96
Rot. Bonds4

About formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine

formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine (PubChem CID 145048578) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine.

Molecular Properties

Compound Nameformic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine
PubChem CID145048578
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Nameformic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine
SMILESCc1ccncc1Nc1nn(C2CCN(C)CC2)cc1-c1ccccc1.O=CO
InChIInChI=1S/C21H25N5.CH2O2/c1-16-8-11-22-14-20(16)23-21-19(17-6-4-3-5-7-17)15-26(24-21)18-9-12-25(2)13-10-18;2-1-3/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,23,24);1H,(H,2,3)
InChIKeyUDRZAXVXAWTYIN-UHFFFAOYSA-N
XLogP3.96
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine?
The IUPAC name of formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine (CID 145048578) is formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine.
What is the SMILES notation for formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine?
The canonical SMILES for formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine is Cc1ccncc1Nc1nn(C2CCN(C)CC2)cc1-c1ccccc1.O=CO.
What is the InChIKey of formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine?
The InChIKey is UDRZAXVXAWTYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5.CH2O2/c1-16-8-11-22-14-20(16)23-21-19(17-6-4-3-5-7-17)15-26(24-21)18-9-12-25(2)13-10-18;2-1-3/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,23,24);1H,(H,2,3).
What are the key properties of formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine?
formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine has a molecular weight of 393.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine is sourced from PubChem (CID 145048578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).