N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H21N5O2 — CID 75503967

IUPACN-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1c(C(=O)NC(C)CNc2ccccc2)cnc2c1cnn2C
InChIInChI=1S/C18H21N5O2/c1-12(9-19-13-7-5-4-6-8-13)22-18(24)15-10-20-17-14(16(15)25-3)11-21-23(17)2/h4-8,10-12,19H,9H2,1-3H3,(H,22,24)
InChIKeyQBSPAJQBKFVJPD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.21
Rot. Bonds6

About N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 75503967) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID75503967
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1c(C(=O)NC(C)CNc2ccccc2)cnc2c1cnn2C
InChIInChI=1S/C18H21N5O2/c1-12(9-19-13-7-5-4-6-8-13)22-18(24)15-10-20-17-14(16(15)25-3)11-21-23(17)2/h4-8,10-12,19H,9H2,1-3H3,(H,22,24)
InChIKeyQBSPAJQBKFVJPD-UHFFFAOYSA-N
XLogP2.21
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 75503967) is N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1c(C(=O)NC(C)CNc2ccccc2)cnc2c1cnn2C.
What is the InChIKey of N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QBSPAJQBKFVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(9-19-13-7-5-4-6-8-13)22-18(24)15-10-20-17-14(16(15)25-3)11-21-23(17)2/h4-8,10-12,19H,9H2,1-3H3,(H,22,24).
What are the key properties of N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilinopropan-2-yl)-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 75503967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).