[4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone

C21H25ClN6O3 — CID 147122668

IUPAC[4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone
SMILESCOc1cc(-c2cnn(C3CCN(C(=O)C4(O)CNC4)CC3)c2C)cn2ncc(Cl)c12
InChIInChI=1S/C21H25ClN6O3/c1-13-16(14-7-18(31-2)19-17(22)9-24-27(19)10-14)8-25-28(13)15-3-5-26(6-4-15)20(29)21(30)11-23-12-21/h7-10,15,23,30H,3-6,11-12H2,1-2H3
InChIKeyBORJLCKMQVQLKG-UHFFFAOYSA-N
MW444.92 g/mol
LogP1.67
Rot. Bonds4

About [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone

[4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone (PubChem CID 147122668) has the molecular formula C21H25ClN6O3 and a molecular weight of 444.92 g/mol. Its IUPAC name is [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone
PubChem CID147122668
Molecular FormulaC21H25ClN6O3
Molecular Weight444.92 g/mol
Exact Mass444.17
IUPAC Name[4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone
SMILESCOc1cc(-c2cnn(C3CCN(C(=O)C4(O)CNC4)CC3)c2C)cn2ncc(Cl)c12
InChIInChI=1S/C21H25ClN6O3/c1-13-16(14-7-18(31-2)19-17(22)9-24-27(19)10-14)8-25-28(13)15-3-5-26(6-4-15)20(29)21(30)11-23-12-21/h7-10,15,23,30H,3-6,11-12H2,1-2H3
InChIKeyBORJLCKMQVQLKG-UHFFFAOYSA-N
XLogP1.67
TPSA96.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone?
The IUPAC name of [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone (CID 147122668) is [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone.
What is the SMILES notation for [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone?
The canonical SMILES for [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone is COc1cc(-c2cnn(C3CCN(C(=O)C4(O)CNC4)CC3)c2C)cn2ncc(Cl)c12.
What is the InChIKey of [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone?
The InChIKey is BORJLCKMQVQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O3/c1-13-16(14-7-18(31-2)19-17(22)9-24-27(19)10-14)8-25-28(13)15-3-5-26(6-4-15)20(29)21(30)11-23-12-21/h7-10,15,23,30H,3-6,11-12H2,1-2H3.
What are the key properties of [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone?
[4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone has a molecular weight of 444.92 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]-(3-hydroxyazetidin-3-yl)methanone is sourced from PubChem (CID 147122668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).