ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine

C19H29IN5P — CID 145248921

IUPACethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine
SMILESCC.CC.Cc1nn(PI)c2ccc(-c3cncc(NC(C)C)c3)nc12
InChIInChI=1S/C15H17IN5P.2C2H6/c1-9(2)18-12-6-11(7-17-8-12)13-4-5-14-15(19-13)10(3)20-21(14)22-16;2*1-2/h4-9,18,22H,1-3H3;2*1-2H3
InChIKeyPWLPZCVTVSQHFK-UHFFFAOYSA-N
MW485.35 g/mol
LogP6.47
Rot. Bonds4

About ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine

ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine (PubChem CID 145248921) has the molecular formula C19H29IN5P and a molecular weight of 485.35 g/mol. Its IUPAC name is ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Nameethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine
PubChem CID145248921
Molecular FormulaC19H29IN5P
Molecular Weight485.35 g/mol
Exact Mass485.12
IUPAC Nameethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine
SMILESCC.CC.Cc1nn(PI)c2ccc(-c3cncc(NC(C)C)c3)nc12
InChIInChI=1S/C15H17IN5P.2C2H6/c1-9(2)18-12-6-11(7-17-8-12)13-4-5-14-15(19-13)10(3)20-21(14)22-16;2*1-2/h4-9,18,22H,1-3H3;2*1-2H3
InChIKeyPWLPZCVTVSQHFK-UHFFFAOYSA-N
XLogP6.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine?
The IUPAC name of ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine (CID 145248921) is ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine is CC.CC.Cc1nn(PI)c2ccc(-c3cncc(NC(C)C)c3)nc12.
What is the InChIKey of ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine?
The InChIKey is PWLPZCVTVSQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN5P.2C2H6/c1-9(2)18-12-6-11(7-17-8-12)13-4-5-14-15(19-13)10(3)20-21(14)22-16;2*1-2/h4-9,18,22H,1-3H3;2*1-2H3.
What are the key properties of ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine?
ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine has a molecular weight of 485.35 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-iodophosphanyl-3-methylpyrazolo[4,5-b]pyridin-5-yl)-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 145248921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).