N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide

C24H26N6O3 — CID 175977938

IUPACN-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCOCC(C)N(Cc1ccc(C(C)=O)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C24H26N6O3/c1-14(13-33-4)30(12-18-7-5-17(10-26-18)15(2)31)24(32)16-6-8-21-19(9-16)22-20(23(25)28-21)11-27-29(22)3/h5-11,14H,12-13H2,1-4H3,(H2,25,28)
InChIKeyYOJBEFGUEWMAGZ-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.98
Rot. Bonds7

About N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide

N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 175977938) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID175977938
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCOCC(C)N(Cc1ccc(C(C)=O)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C24H26N6O3/c1-14(13-33-4)30(12-18-7-5-17(10-26-18)15(2)31)24(32)16-6-8-21-19(9-16)22-20(23(25)28-21)11-27-29(22)3/h5-11,14H,12-13H2,1-4H3,(H2,25,28)
InChIKeyYOJBEFGUEWMAGZ-UHFFFAOYSA-N
XLogP2.98
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide (CID 175977938) is N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide is COCC(C)N(Cc1ccc(C(C)=O)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.
What is the InChIKey of N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is YOJBEFGUEWMAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-14(13-33-4)30(12-18-7-5-17(10-26-18)15(2)31)24(32)16-6-8-21-19(9-16)22-20(23(25)28-21)11-27-29(22)3/h5-11,14H,12-13H2,1-4H3,(H2,25,28).
What are the key properties of N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 175977938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).