3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine

C23H23ClN6O2 — CID 134435348

IUPAC3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2ccc(N3CCC(Oc4ccc(C)nn4)CC3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C23H23ClN6O2/c1-15-3-6-22(28-27-15)32-17-7-9-29(10-8-17)21-5-4-16(12-25-21)19-11-18(31-2)14-30-23(19)20(24)13-26-30/h3-6,11-14,17H,7-10H2,1-2H3
InChIKeyPKDWPPSHUMAYJO-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.20
Rot. Bonds5

About 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine

3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine (PubChem CID 134435348) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
PubChem CID134435348
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2ccc(N3CCC(Oc4ccc(C)nn4)CC3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C23H23ClN6O2/c1-15-3-6-22(28-27-15)32-17-7-9-29(10-8-17)21-5-4-16(12-25-21)19-11-18(31-2)14-30-23(19)20(24)13-26-30/h3-6,11-14,17H,7-10H2,1-2H3
InChIKeyPKDWPPSHUMAYJO-UHFFFAOYSA-N
XLogP4.20
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine (CID 134435348) is 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine is COc1cc(-c2ccc(N3CCC(Oc4ccc(C)nn4)CC3)nc2)c2c(Cl)cnn2c1.
What is the InChIKey of 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The InChIKey is PKDWPPSHUMAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-15-3-6-22(28-27-15)32-17-7-9-29(10-8-17)21-5-4-16(12-25-21)19-11-18(31-2)14-30-23(19)20(24)13-26-30/h3-6,11-14,17H,7-10H2,1-2H3.
What are the key properties of 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine has a molecular weight of 450.93 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-4-[6-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134435348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).