1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol

C19H23N7O — CID 89412710

IUPAC1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol
SMILES[H]/N=C(\c1cccc(NCC(C)(C)O)n1)c1cc(-c2cnn(C)c2)ncc1N
InChIInChI=1S/C19H23N7O/c1-19(2,27)11-23-17-6-4-5-15(25-17)18(21)13-7-16(22-9-14(13)20)12-8-24-26(3)10-12/h4-10,21,27H,11,20H2,1-3H3,(H,23,25)/b21-18-
InChIKeyHEIBYLGGIQCEAV-UZYVYHOESA-N
MW365.44 g/mol
LogP2.06
Rot. Bonds6

About 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol

1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol (PubChem CID 89412710) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol
PubChem CID89412710
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol
SMILES[H]/N=C(\c1cccc(NCC(C)(C)O)n1)c1cc(-c2cnn(C)c2)ncc1N
InChIInChI=1S/C19H23N7O/c1-19(2,27)11-23-17-6-4-5-15(25-17)18(21)13-7-16(22-9-14(13)20)12-8-24-26(3)10-12/h4-10,21,27H,11,20H2,1-3H3,(H,23,25)/b21-18-
InChIKeyHEIBYLGGIQCEAV-UZYVYHOESA-N
XLogP2.06
TPSA125.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol (CID 89412710) is 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol is [H]/N=C(\c1cccc(NCC(C)(C)O)n1)c1cc(-c2cnn(C)c2)ncc1N.
What is the InChIKey of 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol?
The InChIKey is HEIBYLGGIQCEAV-UZYVYHOESA-N. The full InChI is InChI=1S/C19H23N7O/c1-19(2,27)11-23-17-6-4-5-15(25-17)18(21)13-7-16(22-9-14(13)20)12-8-24-26(3)10-12/h4-10,21,27H,11,20H2,1-3H3,(H,23,25)/b21-18-.
What are the key properties of 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol?
1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol has a molecular weight of 365.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 89412710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).