3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile

C23H23N7O2 — CID 144713606

IUPAC3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile
SMILESN#CCC(C1CC1)n1nc(Nc2ccc3nc(NCCO)ccc3c2)c2c(=O)[nH]ccc21
InChIInChI=1S/C23H23N7O2/c24-9-7-18(14-1-2-14)30-19-8-10-26-23(32)21(19)22(29-30)27-16-4-5-17-15(13-16)3-6-20(28-17)25-11-12-31/h3-6,8,10,13-14,18,31H,1-2,7,11-12H2,(H,25,28)(H,26,32)(H,27,29)
InChIKeyDDMDGFHKXVDZRS-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.29
Rot. Bonds8

About 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile

3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile (PubChem CID 144713606) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile
PubChem CID144713606
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile
SMILESN#CCC(C1CC1)n1nc(Nc2ccc3nc(NCCO)ccc3c2)c2c(=O)[nH]ccc21
InChIInChI=1S/C23H23N7O2/c24-9-7-18(14-1-2-14)30-19-8-10-26-23(32)21(19)22(29-30)27-16-4-5-17-15(13-16)3-6-20(28-17)25-11-12-31/h3-6,8,10,13-14,18,31H,1-2,7,11-12H2,(H,25,28)(H,26,32)(H,27,29)
InChIKeyDDMDGFHKXVDZRS-UHFFFAOYSA-N
XLogP3.29
TPSA131.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?
The IUPAC name of 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile (CID 144713606) is 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile.
What is the SMILES notation for 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?
The canonical SMILES for 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile is N#CCC(C1CC1)n1nc(Nc2ccc3nc(NCCO)ccc3c2)c2c(=O)[nH]ccc21.
What is the InChIKey of 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?
The InChIKey is DDMDGFHKXVDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-9-7-18(14-1-2-14)30-19-8-10-26-23(32)21(19)22(29-30)27-16-4-5-17-15(13-16)3-6-20(28-17)25-11-12-31/h3-6,8,10,13-14,18,31H,1-2,7,11-12H2,(H,25,28)(H,26,32)(H,27,29).
What are the key properties of 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile?
3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile has a molecular weight of 429.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[3-[[2-(2-hydroxyethylamino)quinolin-6-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile is sourced from PubChem (CID 144713606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).